data_2p0q_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 2p0q _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 ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.91 -34.99 76.3 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.1 p -106.68 -0.71 23.44 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -141.89 -45.91 0.35 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.814 0.734 . . . . 0.0 112.473 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.4 mt -78.06 -47.64 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.408 1.004 . . . . 0.0 109.993 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 pt -122.37 13.3 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.901 0.88 . . . . 0.0 112.001 -174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.79 -36.17 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.988 0.915 . . . . 0.0 112.553 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.38 -12.43 56.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.799 0.84 . . . . 0.0 112.171 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.28 173.13 12.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.566 0.747 . . . . 0.0 111.972 -173.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -149.54 -43.61 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.362 1.065 . . . . 0.0 109.672 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -131.29 171.41 13.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.624 1.17 . . . . 0.0 109.376 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -50.45 -40.29 50.23 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.151 1.38 . . . . 0.0 114.477 -169.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.59 -41.42 84.12 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.16 -32.77 67.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.856 -0.528 . . . . 0.0 110.359 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -67.59 -42.77 81.94 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.53 95.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 122.702 0.401 . . . . 0.0 110.248 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -63.66 -37.98 89.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.37 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.79 -51.8 56.94 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 119.457 1.026 . . . . 0.0 110.949 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -58.63 -46.61 86.71 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.241 174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -59.89 -47.79 84.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.117 0.567 . . . . 0.0 110.467 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -66.94 -41.06 87.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.748 0.703 . . . . 0.0 110.716 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.52 -48.67 79.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.441 0.564 . . . . 0.0 110.208 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -66.95 -43.34 83.43 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.057 0.543 . . . . 0.0 109.682 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.63 -34.87 74.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.439 0.696 . . . . 0.0 111.625 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -78.65 -22.17 47.25 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.7 m -101.5 -44.61 5.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -169.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -70.67 126.77 30.53 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.622 0.769 . . . . 0.0 109.724 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -85.12 43.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.327 1.451 . . . . 0.0 110.393 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -62.8 158.19 54.09 Favored Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 121.143 -0.973 . . . . 0.0 110.453 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.54 147.89 76.58 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 120.108 1.074 . . . . 0.0 111.229 -6.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -150.85 161.98 41.65 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.089 0.555 . . . . 0.0 109.768 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -82.18 146.6 29.46 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 169.47 32.11 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -100.7 121.81 42.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 169.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -83.79 101.09 11.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.67 69.87 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.366 1.467 . . . . 0.0 107.721 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 tttm . . . . . 0 C--O 1.237 0.42 0 C-N-CA 122.396 0.278 . . . . 0.0 110.431 -171.473 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.232 0.156 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -85.78 87.9 7.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.09 151.65 47.22 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.418 0.628 . . . . 0.0 110.278 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -150.5 141.28 22.76 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 m -99.42 124.37 44.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -135.61 161.47 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 122.06 0.934 . . . . 0.0 111.276 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.26 113.33 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 169.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -73.93 143.34 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -103.4 -25.77 13.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.285 0.634 . . . . 0.0 110.517 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.75 173.63 29.58 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.0 152.41 43.47 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.43 165.81 8.32 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.89 157.75 7.45 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.039 2.493 . . . . 0.0 112.846 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.45 -30.34 62.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 112.249 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.54 -31.7 73.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.566 0.621 . . . . 0.0 111.764 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.28 -43.08 19.68 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.7 m -71.09 2.52 4.41 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -83.05 -16.27 47.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.384 1.473 . . . . 0.0 110.64 169.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -110.53 -37.84 5.37 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 124.121 0.969 . . . . 0.0 110.795 -169.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -164.53 170.83 15.34 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -80.33 127.64 32.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 120.388 1.449 . . . . 0.0 108.129 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -138.49 158.89 43.4 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.905 0.882 . . . . 0.0 110.141 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.16 142.59 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.414 1.486 . . . . 0.0 107.792 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -80.59 135.33 36.05 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.58 149.21 22.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 123.355 0.662 . . . . 0.0 109.944 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.21 125.77 53.76 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.97 99.4 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.074 0.55 . . . . 0.0 109.519 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 124.2 1.0 . . . . 0.0 109.811 -177.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.7 t . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.446 0.641 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -122.98 -176.81 3.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.079 2.552 . . . . 0.0 108.042 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.5 m -128.51 139.92 52.07 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.11 154.07 48.69 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.4 1.48 . . . . 0.0 108.506 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -70.95 137.59 49.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.27 -28.74 68.32 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 169.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -61.58 -15.05 35.3 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.889 1.675 . . . . 0.0 113.477 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.31 10.02 13.58 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.769 1.228 . . . . 0.0 109.371 -177.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -110.34 146.39 15.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 122.303 1.049 . . . . 0.0 108.696 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.62 106.54 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.82 150.82 46.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.07 132.39 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.63 39.16 20.84 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.839 1.656 . . . . 0.0 113.701 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.2 m -90.28 173.76 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.36 0.664 . . . . 0.0 110.902 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.85 163.39 25.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.621 0.725 . . . . 0.0 110.246 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.19 -38.67 80.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.021 1.328 . . . . 0.0 110.831 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -70.21 -34.57 73.07 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.99 0.814 . . . . 0.0 110.866 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.1 m -69.96 -47.79 60.91 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -38.79 84.72 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.17 -50.46 73.44 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.024 0.93 . . . . 0.0 111.461 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.45 86.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.887 0.312 . . . . 0.0 111.127 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.0 mt -66.3 -50.38 68.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.302 0.641 . . . . 0.0 109.649 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.68 -46.45 84.27 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.537 0.608 . . . . 0.0 110.168 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.43 -41.88 86.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.834 0.853 . . . . 0.0 110.724 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -66.28 -35.98 81.8 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.443 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.43 -30.78 70.61 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.114 -0.991 . . . . 0.0 111.602 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -66.04 -44.1 85.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.852 1.205 . . . . 0.0 110.15 170.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -61.11 -37.6 83.35 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.189 0.449 . . . . 0.0 111.512 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 69.7 tp -61.53 -49.29 77.29 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.1 78.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.069 0.548 . . . . 0.0 111.82 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 . . . . . 0 N--CA 1.463 0.213 0 C-N-CA 124.796 1.239 . . . . 0.0 113.729 176.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.5 mt . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.36 -38.96 78.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.793 0.837 . . . . 0.0 111.891 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 p -93.13 -14.06 27.7 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -133.93 -12.69 2.54 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mt -121.32 -41.28 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.878 1.217 . . . . 0.0 109.991 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.44 15.96 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.74 . . . . 0.0 112.042 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.52 -31.48 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.778 0.831 . . . . 0.0 111.83 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.88 10.4 26.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.602 1.161 . . . . 0.0 111.801 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.11 161.98 32.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.878 1.271 . . . . 0.0 111.39 -169.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -150.13 -41.45 0.13 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.933 0.893 . . . . 0.0 110.415 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -81.98 164.28 21.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.955 0.798 . . . . 0.0 108.948 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -59.35 -39.23 82.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.787 0.835 . . . . 0.0 111.896 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.95 -42.55 73.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -66.53 -43.1 86.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -62.53 -41.67 99.02 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.31 96.31 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.988 0.358 . . . . 0.0 110.774 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -64.36 -37.04 86.12 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-O 118.482 -0.77 . . . . 0.0 111.701 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.15 -50.15 66.61 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-N 119.427 1.012 . . . . 0.0 110.676 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.45 -50.43 73.74 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.654 0.382 . . . . 0.0 111.521 173.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -61.57 -46.93 87.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.151 0.58 . . . . 0.0 110.46 -173.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -65.5 -43.05 91.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.095 0.558 . . . . 0.0 110.513 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -62.77 -46.95 85.63 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.272 0.487 . . . . 0.0 110.296 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.64 -43.59 79.98 Favored 'General case' 0 C--O 1.228 -0.048 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.46 -33.76 71.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.838 0.744 . . . . 0.0 111.998 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.15 -22.54 44.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.243 0.617 . . . . 0.0 112.517 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -100.21 -45.18 5.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -68.83 127.69 34.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.83 45.1 1.22 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.329 1.452 . . . . 0.0 110.289 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -63.07 156.91 65.53 Favored Pre-proline 0 CA--C 1.545 0.766 0 O-C-N 121.208 -0.933 . . . . 0.0 111.325 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -68.37 146.94 80.12 Favored 'Cis proline' 0 C--N 1.349 0.596 0 CA-C-N 119.414 0.826 . . . . 0.0 111.72 -4.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -148.21 165.29 31.38 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.098 0.959 . . . . 0.0 109.529 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -92.54 145.18 24.64 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.286 -0.883 . . . . 0.0 109.403 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.75 170.17 32.44 Favored Glycine 0 C--N 1.334 0.447 0 O-C-N 121.137 -0.977 . . . . 0.0 111.501 172.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -100.15 125.34 46.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -82.03 104.21 12.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.687 -2.338 . . . . 0.0 104.687 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -86.61 68.33 10.13 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.679 1.591 . . . . 0.0 106.927 171.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttm . . . . . 0 C--N 1.333 -0.151 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -177.33 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.9 mm . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -117.61 151.57 36.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 169.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -128.06 126.97 42.27 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 -170.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -134.5 134.59 41.64 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.0 m -89.89 125.26 35.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.66 153.98 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.328 1.061 . . . . 0.0 111.367 -169.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.39 119.54 38.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.98 114.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.68 -35.57 44.98 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 122.55 0.34 . . . . 0.0 110.514 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.07 179.74 39.73 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.18 148.18 41.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.9 164.53 16.67 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 123.763 0.825 . . . . 0.0 109.335 169.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -60.13 157.21 35.68 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.654 1.569 . . . . 0.0 111.089 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -31.75 64.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.055 0.942 . . . . 0.0 112.268 -175.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.03 -27.61 68.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.079 0.951 . . . . 0.0 112.344 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.79 -36.26 37.34 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.6 m -80.76 34.37 0.34 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.857 1.263 . . . . 0.0 112.902 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.71 -21.73 21.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.226 1.01 . . . . 0.0 113.462 -174.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -137.29 -17.55 1.34 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.795 0.838 . . . . 0.0 113.105 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -154.76 165.08 37.74 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.0 mmt -93.7 140.9 29.1 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -136.2 157.08 47.67 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.128 0.571 . . . . 0.0 110.186 -174.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.88 143.22 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.544 1.538 . . . . 0.0 108.065 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -80.29 132.78 35.88 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.71 149.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -175.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.88 50.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.083 0.953 . . . . 0.0 108.535 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.35 123.72 21.55 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.131 0.572 . . . . 0.0 110.733 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 123.084 0.554 . . . . 0.0 110.053 177.433 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 121.317 0.58 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -127.01 178.17 6.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.712 2.005 . . . . 0.0 109.501 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 m -127.49 136.01 51.17 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.6 154.41 47.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.201 1.4 . . . . 0.0 107.887 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.46 138.4 48.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.01 -28.22 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -60.9 -17.3 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.98 2.112 . . . . 0.0 113.606 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.56 11.38 17.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.84 1.656 . . . . 0.0 109.871 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.48 149.84 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 120.291 -1.506 . . . . 0.0 109.023 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.59 112.06 9.92 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 150.64 46.75 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.376 0.607 . . . . 0.0 110.206 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -119.44 131.97 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.502 1.521 . . . . 0.0 107.161 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.94 37.17 7.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.175 1.79 . . . . 0.0 113.436 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p -92.47 173.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.556 0.742 . . . . 0.0 110.638 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.68 157.63 29.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 122.093 0.949 . . . . 0.0 110.118 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.47 -42.47 96.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.83 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -74.26 -28.1 61.06 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.119 0.418 . . . . 0.0 110.801 -175.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 35.2 m -69.29 -48.52 61.42 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -40.88 97.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.96 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.67 -43.74 92.61 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.434 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.8 98.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.091 0.859 . . . . 0.0 110.707 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.82 -50.19 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.91 87.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.6 0.636 . . . . 0.0 110.484 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.59 -41.54 94.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.003 0.921 . . . . 0.0 111.456 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -65.59 -45.39 83.42 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 119.187 -0.435 . . . . 0.0 109.963 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.38 -34.44 77.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.929 0.786 . . . . 0.0 111.359 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -63.18 -52.99 60.14 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 119.213 0.915 . . . . 0.0 109.318 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -58.27 -39.99 80.68 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.67 0.788 . . . . 0.0 111.648 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.84 -53.37 58.71 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.621 1.568 . . . . 0.0 109.743 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.43 68.29 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.407 0.683 . . . . 0.0 112.377 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 . . . . . 0 CA--C 1.533 0.293 0 C-N-CA 123.989 0.916 . . . . 0.0 112.018 178.579 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.72 -37.21 86.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 112.564 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.5 p -100.84 -10.88 20.29 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.43 -20.73 1.83 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.568 1.076 . . . . 0.0 113.658 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.8 mt -107.54 -44.41 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.889 1.222 . . . . 0.0 109.689 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -122.6 14.5 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.568 0.747 . . . . 0.0 112.183 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.42 -35.18 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.465 1.106 . . . . 0.0 112.61 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -89.84 -7.31 54.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.91 0.884 . . . . 0.0 112.097 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.65 172.3 13.27 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.4 0.619 . . . . 0.0 112.005 -174.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -153.2 -43.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.619 1.168 . . . . 0.0 109.496 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.78 176.02 5.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.056 1.342 . . . . 0.0 108.935 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 120.767 -1.208 . . . . 0.0 111.4 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.22 -41.75 94.12 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.0 -34.61 76.83 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 110.75 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -66.15 -41.73 90.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.998 0.817 . . . . 0.0 110.382 175.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.0 93.43 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.46 0.573 . . . . 0.0 110.277 175.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -37.24 86.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.984 175.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.88 -51.61 56.07 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -56.77 -47.02 81.07 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.23 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.7 -53.41 58.45 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.654 0.382 . . . . 0.0 110.778 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.25 -35.07 73.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.01 -174.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.3 -47.49 84.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.9 0.773 . . . . 0.0 110.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.61 -44.4 82.19 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-O 118.921 -0.562 . . . . 0.0 109.877 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.93 -33.65 72.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.685 0.675 . . . . 0.0 111.976 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.14 -23.2 47.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.102 0.561 . . . . 0.0 112.46 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -99.99 -44.97 5.84 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.16 125.33 26.04 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.93 0.892 . . . . 0.0 109.639 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -82.58 45.86 1.01 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.507 1.523 . . . . 0.0 110.5 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -64.31 160.04 53.33 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.132 -0.98 . . . . 0.0 110.524 173.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.37 148.77 77.78 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 119.94 1.014 . . . . 0.0 110.945 -8.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -150.98 163.85 37.77 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.146 0.579 . . . . 0.0 109.585 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.42 147.85 26.89 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.35 -0.844 . . . . 0.0 108.965 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.06 166.47 31.51 Favored Glycine 0 N--CA 1.449 -0.495 0 O-C-N 121.248 -0.907 . . . . 0.0 110.893 172.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -98.63 126.2 44.15 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 169.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -83.11 106.87 15.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.6 64.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 106.438 -1.689 . . . . 0.0 106.438 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 tttm . . . . . 0 C--N 1.332 -0.184 0 C-N-CA 124.576 1.151 . . . . 0.0 109.49 -171.392 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -130.94 153.78 48.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.49 138.82 54.31 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -141.57 144.96 34.53 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -102.42 129.02 48.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.5 m -140.97 158.46 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 122.256 1.027 . . . . 0.0 111.347 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.13 123.0 46.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 168.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -81.49 137.62 20.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.31 -26.81 15.24 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 123.562 0.745 . . . . 0.0 109.977 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.04 177.36 35.03 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.5 mmm -62.65 148.36 46.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.19 165.16 18.13 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.2 152.96 62.36 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.264 1.309 . . . . 0.0 110.891 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -58.25 -28.35 64.84 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.469 0.707 . . . . 0.0 112.064 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.13 -29.3 70.69 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.279 1.031 . . . . 0.0 112.54 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.88 -31.38 35.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.807 0.443 . . . . 0.0 109.991 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -83.34 23.46 0.91 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.054 . . . . 0.0 112.809 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -21.68 56.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.465 1.106 . . . . 0.0 112.585 -173.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -135.33 -17.22 1.8 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -156.42 165.64 35.74 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -92.22 144.29 25.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -140.48 156.38 46.37 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.149 0.58 . . . . 0.0 110.402 -175.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.62 141.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.462 1.505 . . . . 0.0 107.462 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -77.93 134.55 37.86 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.49 150.01 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.331 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.77 135.62 53.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.065 1.346 . . . . 0.0 108.24 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.23 90.22 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.374 1.07 . . . . 0.0 110.604 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 125.566 1.547 . . . . 0.0 109.864 178.457 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.868 0.842 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -141.54 -172.73 3.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.651 2.381 . . . . 0.0 107.665 -170.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.58 140.64 51.15 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.78 48.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.42 1.488 . . . . 0.0 108.215 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -72.07 138.08 47.57 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.16 -27.2 69.21 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.5 m -64.06 -1.51 1.56 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.863 1.665 . . . . 0.0 113.709 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.45 10.77 4.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.955 1.302 . . . . 0.0 110.354 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -113.92 148.6 16.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 O-C-N 120.888 -1.132 . . . . 0.0 108.563 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -134.49 114.86 13.29 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.24 41.17 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.382 0.61 . . . . 0.0 110.84 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.9 mt -121.65 132.93 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.067 1.347 . . . . 0.0 107.395 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.96 38.77 21.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.979 1.712 . . . . 0.0 113.911 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.4 m -89.04 174.53 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.43 0.692 . . . . 0.0 111.148 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.81 162.63 23.57 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.897 0.856 . . . . 0.0 110.108 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.94 -38.8 89.85 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.631 1.172 . . . . 0.0 110.891 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -72.54 -31.03 64.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.644 0.656 . . . . 0.0 110.912 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.9 m -69.26 -46.96 66.0 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -44.68 95.15 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -62.48 -41.98 99.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.416 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.15 96.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.117 0.871 . . . . 0.0 111.074 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -66.76 -52.36 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.59 -44.8 81.41 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.188 0.595 . . . . 0.0 110.478 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.59 -36.72 85.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.443 0.697 . . . . 0.0 111.872 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -68.68 -41.0 79.85 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.796 0.438 . . . . 0.0 110.713 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.89 -30.58 70.78 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.469 -0.769 . . . . 0.0 110.903 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -64.44 -52.89 55.79 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 119.298 0.954 . . . . 0.0 108.663 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -52.5 -42.55 64.41 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.277 0.944 . . . . 0.0 111.569 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 tp -58.42 -52.92 63.59 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.231 1.012 . . . . 0.0 110.296 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.62 -25.97 68.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.409 0.684 . . . . 0.0 112.69 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 119.097 0.862 . . . . 0.0 111.64 175.861 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.232 0.173 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.7 -34.48 71.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.825 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 p -104.55 -10.19 17.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -134.61 -15.31 2.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -172.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -122.15 -43.92 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 119.9 1.227 . . . . 0.0 110.298 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.1 pt -119.85 15.28 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.779 0.832 . . . . 0.0 111.892 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.93 -33.5 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.952 0.901 . . . . 0.0 112.098 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.9 -8.03 52.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.981 0.912 . . . . 0.0 112.136 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 173.25 11.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.653 0.781 . . . . 0.0 111.52 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.55 -40.47 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.221 1.008 . . . . 0.0 110.309 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -133.0 172.39 12.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.754 1.221 . . . . 0.0 108.593 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.45 -37.69 65.48 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.047 1.739 . . . . 0.0 113.601 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.15 -40.97 86.78 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -72.26 -35.66 68.82 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.806 -0.559 . . . . 0.0 110.177 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -64.82 -41.32 95.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.958 0.799 . . . . 0.0 109.741 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.54 98.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 119.253 -0.403 . . . . 0.0 110.341 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mmt -62.97 -39.21 94.0 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.98 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.15 -50.83 62.62 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.227 0.921 . . . . 0.0 110.973 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -57.39 -49.64 75.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.863 0.331 . . . . 0.0 111.509 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.02 -47.4 86.02 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.466 0.706 . . . . 0.0 110.651 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.9 -43.27 93.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.214 0.461 . . . . 0.0 110.12 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -64.05 -46.04 86.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.858 0.299 . . . . 0.0 110.467 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.0 -43.65 87.1 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.172 0.589 . . . . 0.0 110.126 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.83 -32.75 70.95 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.675 0.671 . . . . 0.0 112.005 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.94 -21.43 40.44 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -100.59 -46.29 5.24 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.259 0.624 . . . . 0.0 112.23 -169.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.1 mt -68.92 127.29 32.58 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -169.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.99 37.45 0.6 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.846 0.858 . . . . 0.0 112.494 -171.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -58.64 154.33 35.89 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.671 0.789 . . . . 0.0 112.626 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.08 142.39 65.03 Favored 'Cis proline' 0 CA--C 1.536 0.622 0 CA-C-N 119.149 0.732 . . . . 0.0 111.557 -4.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.99 157.52 44.28 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.218 1.007 . . . . 0.0 108.788 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.7 ttt -87.62 144.35 26.72 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.142 -0.974 . . . . 0.0 109.579 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 167.87 31.52 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.278 -0.889 . . . . 0.0 111.336 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -96.35 124.6 40.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -86.13 100.1 11.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 169.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -87.44 67.79 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 tptp . . . . . 0 N--CA 1.46 0.026 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -171.546 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 mm . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -126.46 97.85 5.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.06 149.64 39.11 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.808 -0.558 . . . . 0.0 111.403 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -139.77 148.51 42.34 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 169.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 m -101.06 127.98 47.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -140.12 161.15 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.335 1.064 . . . . 0.0 111.527 -169.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.53 116.0 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 168.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.12 117.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -87.48 -27.88 22.39 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.414 0.686 . . . . 0.0 111.499 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.43 178.79 38.14 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -62.7 149.41 43.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 169.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.26 167.48 10.08 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.191 0.596 . . . . 0.0 110.135 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -51.61 154.1 9.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.969 2.446 . . . . 0.0 112.841 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.19 -28.19 64.56 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.85 0.86 . . . . 0.0 111.837 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.06 -31.02 70.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.873 0.869 . . . . 0.0 111.924 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -93.1 -39.63 10.96 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.331 0.653 . . . . 0.0 109.256 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.9 m -70.72 3.09 3.42 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.98 -20.21 49.7 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.413 1.485 . . . . 0.0 110.971 169.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -108.22 -38.91 5.63 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.176 0.59 . . . . 0.0 110.524 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -163.86 167.34 20.87 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -79.16 124.48 28.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 120.84 1.654 . . . . 0.0 108.819 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -130.38 155.64 46.05 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.232 1.013 . . . . 0.0 109.241 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.83 141.27 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.961 1.305 . . . . 0.0 108.073 -174.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.09 131.65 36.32 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.19 138.82 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.69 128.82 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.25 89.23 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.707 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.917 1.687 . . . . 0.0 109.248 178.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 CA--C 1.54 0.57 0 CA-C-O 121.622 0.725 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -118.5 177.12 4.94 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.427 2.691 . . . . 0.0 108.574 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.9 m -127.36 136.56 52.06 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.0 150.25 52.21 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.238 1.415 . . . . 0.0 108.424 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -73.33 136.56 44.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.12 -24.73 63.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.066 0.546 . . . . 0.0 110.938 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -60.84 -19.37 59.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.545 1.538 . . . . 0.0 113.142 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.72 14.64 18.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 125.046 1.338 . . . . 0.0 109.376 -176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.21 144.61 20.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 O-C-N 120.642 -1.286 . . . . 0.0 108.754 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -132.9 112.4 11.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.4 153.19 43.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.733 -0.604 . . . . 0.0 110.539 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -121.46 131.18 73.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.56 37.26 8.85 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.149 1.78 . . . . 0.0 113.44 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 p -95.29 172.03 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.462 0.705 . . . . 0.0 110.742 -175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.61 158.69 29.27 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 122.047 0.927 . . . . 0.0 110.451 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.73 -39.97 90.64 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.241 1.016 . . . . 0.0 110.855 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.78 -32.08 63.61 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.141 0.428 . . . . 0.0 110.905 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.4 m -67.85 -46.68 71.07 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -45.43 94.78 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.13 -41.73 97.26 Favored 'General case' 0 C--O 1.23 0.05 0 CA-C-N 118.844 0.747 . . . . 0.0 111.729 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.28 99.19 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.439 0.563 . . . . 0.0 111.071 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.2 mt -67.67 -50.41 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 C-N-CA 123.398 0.679 . . . . 0.0 109.241 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.0 71.23 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.397 0.679 . . . . 0.0 110.34 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -64.09 -33.35 75.56 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 122.964 0.506 . . . . 0.0 112.275 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.32 -40.63 90.05 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.305 -0.872 . . . . 0.0 110.432 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.87 -36.29 80.02 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.475 -0.766 . . . . 0.0 110.673 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -68.63 -40.66 80.2 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.309 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -55.88 -37.52 68.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.833 1.253 . . . . 0.0 111.04 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -50.75 71.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.494 0.718 . . . . 0.0 109.782 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.5 -21.02 59.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.534 0.734 . . . . 0.0 112.667 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 . . . . . 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.03 172.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--O 1.234 0.251 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.68 -41.93 98.23 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.634 0.374 . . . . 0.0 111.652 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.4 p -87.83 -13.64 41.61 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -172.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -133.08 -17.39 2.4 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -121.28 -42.92 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 119.41 1.004 . . . . 0.0 110.048 -169.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 pt -117.19 15.65 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 123.481 0.712 . . . . 0.0 111.74 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.56 -33.93 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 124.142 0.977 . . . . 0.0 111.744 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.03 -8.88 56.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.099 0.96 . . . . 0.0 112.198 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.23 172.22 12.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.469 0.652 . . . . 0.0 111.701 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -149.85 -33.03 0.19 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.397 1.079 . . . . 0.0 111.153 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -142.85 173.84 11.19 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.32 1.448 . . . . 0.0 107.468 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.66 -27.72 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.64 -40.18 92.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.677 0.671 . . . . 0.0 109.409 172.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -71.03 -31.23 67.65 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.679 -0.638 . . . . 0.0 110.599 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -65.13 -44.54 88.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.211 0.914 . . . . 0.0 109.239 174.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.19 94.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.573 0.349 . . . . 0.0 110.552 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -64.76 -38.37 90.76 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.225 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.08 -51.13 60.22 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.445 1.02 . . . . 0.0 110.798 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.53 -47.97 80.55 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.591 0.356 . . . . 0.0 111.515 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -60.89 -47.34 86.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.126 0.571 . . . . 0.0 110.271 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -67.06 -40.61 87.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.705 0.684 . . . . 0.0 110.67 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -63.51 -47.07 83.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.247 0.476 . . . . 0.0 110.264 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.49 -40.53 80.87 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.041 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -35.07 73.49 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 111.768 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -78.34 -22.85 47.39 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.3 m -100.25 -46.56 5.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -69.98 132.44 45.94 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.595 0.758 . . . . 0.0 110.214 -169.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.96 24.58 0.4 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.611 1.164 . . . . 0.0 113.56 -176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -58.49 155.21 29.64 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.178 -0.951 . . . . 0.0 111.767 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.62 144.3 63.17 Favored 'Cis proline' 0 C--N 1.351 0.702 0 CA-C-N 119.834 0.977 . . . . 0.0 111.457 -3.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -147.49 167.22 25.02 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.177 0.591 . . . . 0.0 109.838 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ttt -91.71 147.0 23.31 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.395 -0.816 . . . . 0.0 109.246 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.99 177.36 31.48 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 173.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -102.32 124.73 48.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.42 103.1 10.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 169.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -88.28 64.54 7.66 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.554 1.942 . . . . 0.0 106.208 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt . . . . . 0 C--N 1.332 -0.189 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -174.683 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -113.44 149.24 34.5 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.08 126.01 40.37 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.32 -0.862 . . . . 0.0 109.314 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -137.86 130.75 30.03 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.6 m -79.12 130.22 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 m -142.43 160.77 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 122.136 0.97 . . . . 0.0 111.937 -169.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -110.94 122.28 47.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 168.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -83.37 139.51 17.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.92 -19.6 19.41 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.131 0.572 . . . . 0.0 110.722 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.58 171.55 20.85 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.2 mtp -65.09 151.1 46.91 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.6 166.37 9.51 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 123.202 0.601 . . . . 0.0 110.338 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.66 155.53 7.61 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.034 2.489 . . . . 0.0 112.928 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.78 -29.42 62.65 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.835 0.854 . . . . 0.0 111.848 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.12 -31.9 71.59 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.69 0.796 . . . . 0.0 111.934 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.28 -38.39 12.69 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -69.56 6.51 1.07 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.28 -17.7 51.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.511 1.524 . . . . 0.0 111.804 169.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -117.75 -28.34 6.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.924 0.784 . . . . 0.0 113.018 -169.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.13 169.75 21.74 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mmt -83.65 127.99 34.19 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -132.01 156.2 46.67 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.521 0.728 . . . . 0.0 110.086 -174.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -141.48 139.54 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.955 1.302 . . . . 0.0 108.596 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.89 136.87 38.86 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.6 p -149.88 144.79 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.301 -0.249 . . . . 0.0 110.763 -168.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.81 140.06 47.8 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.747 1.219 . . . . 0.0 108.839 -175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.11 114.84 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.964 0.906 . . . . 0.0 110.845 -175.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.7 mt . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.259 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 121.684 0.754 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -140.61 -176.24 4.57 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.735 2.414 . . . . 0.0 108.501 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.49 141.29 51.04 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.71 160.23 38.17 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.84 1.256 . . . . 0.0 108.993 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -75.06 140.27 43.39 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 169.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.49 -28.41 65.36 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 169.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m -56.6 -24.31 46.81 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.804 2.042 . . . . 0.0 114.064 174.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.16 12.05 27.0 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.091 1.356 . . . . 0.0 110.075 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -119.2 151.51 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 O-C-N 120.257 -1.527 . . . . 0.0 108.643 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -138.36 134.76 34.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.51 154.25 21.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.586 0.708 . . . . 0.0 110.668 -173.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.2 mt -122.95 132.52 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.29 31.27 9.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.868 1.667 . . . . 0.0 114.444 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 m -82.99 174.26 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 121.22 -0.925 . . . . 0.0 111.135 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.33 161.12 17.42 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.986 0.898 . . . . 0.0 109.151 169.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.41 -41.17 98.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.185 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -72.11 -28.56 63.37 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.285 0.493 . . . . 0.0 111.324 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.0 m -69.45 -48.24 61.47 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.768 -0.826 . . . . 0.0 108.768 173.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.83 -41.67 99.43 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.562 0.619 . . . . 0.0 109.773 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -59.26 -44.41 92.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.943 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.11 93.71 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.042 0.837 . . . . 0.0 111.32 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.92 -50.79 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.184 0.594 . . . . 0.0 109.6 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.79 88.53 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.51 0.596 . . . . 0.0 110.524 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.54 -40.74 97.81 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 111.469 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -62.9 -43.86 97.66 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 119.08 -0.486 . . . . 0.0 109.695 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.31 -32.73 74.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.937 0.79 . . . . 0.0 111.676 -176.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -65.52 -49.85 67.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.611 1.096 . . . . 0.0 110.703 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -59.26 -42.03 90.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.741 0.816 . . . . 0.0 110.806 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.11 -52.54 65.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.434 1.894 . . . . 0.0 110.075 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.39 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.567 0.747 . . . . 0.0 112.137 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.628 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mt . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.18 -33.57 69.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 112.251 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 p -107.1 -10.59 15.85 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -132.65 -14.98 2.78 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.129 0.877 . . . . 0.0 112.882 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mt -121.37 -47.2 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.543 1.065 . . . . 0.0 109.927 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.8 pt -115.69 13.47 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.973 0.806 . . . . 0.0 112.064 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.87 -34.07 36.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.907 0.883 . . . . 0.0 112.022 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.38 -9.85 53.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.107 0.963 . . . . 0.0 112.184 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.71 178.78 7.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.922 0.889 . . . . 0.0 111.643 -175.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.46 -43.22 0.22 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.01 0.924 . . . . 0.0 110.536 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -141.52 171.6 13.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.328 1.451 . . . . 0.0 108.105 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -49.25 -37.76 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.467 1.907 . . . . 0.0 114.751 -169.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.17 -42.96 75.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.66 0.663 . . . . 0.0 109.54 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -69.54 -32.91 72.01 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.336 0.654 . . . . 0.0 110.29 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -70.04 -40.91 74.85 Favored 'General case' 0 N--CA 1.462 0.154 0 O-C-N 121.528 -0.733 . . . . 0.0 109.043 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.69 -43.38 85.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.243 0.474 . . . . 0.0 110.465 171.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -64.72 -38.55 91.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.489 0.586 . . . . 0.0 111.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.83 -51.3 57.87 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -58.41 -47.47 83.8 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.288 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -57.89 -53.46 58.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.121 0.568 . . . . 0.0 110.717 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.36 -30.61 63.42 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.096 -173.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.45 -46.3 86.9 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.142 0.883 . . . . 0.0 110.167 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.71 -45.11 87.97 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.694 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.71 -33.82 70.62 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.602 0.637 . . . . 0.0 112.02 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.33 -22.02 45.09 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.27 0.628 . . . . 0.0 112.507 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -99.32 -45.95 5.69 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.118 0.567 . . . . 0.0 111.807 -170.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.01 125.32 25.95 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.905 0.882 . . . . 0.0 109.072 -169.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -82.88 49.73 1.57 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.258 1.423 . . . . 0.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 27.6 p90 -63.72 158.43 60.44 Favored Pre-proline 0 CA--C 1.545 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 110.661 173.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.74 144.39 64.1 Favored 'Cis proline' 0 C--N 1.35 0.612 0 CA-C-N 119.829 0.975 . . . . 0.0 110.752 -7.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -146.11 161.75 39.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttt -90.99 144.68 25.41 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.532 -0.73 . . . . 0.0 109.111 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.43 170.41 32.86 Favored Glycine 0 C--N 1.332 0.353 0 O-C-N 121.509 -0.744 . . . . 0.0 111.871 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -100.6 127.45 46.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -84.03 106.55 15.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -89.8 66.57 7.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 125.071 1.348 . . . . 0.0 107.386 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.0 tttt . . . . . 0 C--N 1.332 -0.172 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -175.795 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.25 148.76 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.91 137.61 51.03 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.966 0.506 . . . . 0.0 110.104 -169.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -134.4 139.08 45.33 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.6 m -94.83 125.59 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.9 155.92 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 122.199 1.0 . . . . 0.0 110.962 -169.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -105.23 118.84 37.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 169.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -79.3 140.85 16.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 173.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.06 -24.58 14.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.235 0.614 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.417 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.43 178.04 35.96 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -178.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 93.9 mmm -62.13 150.19 39.28 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 169.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 165.93 8.17 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.35 145.78 97.94 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 CA-C-N 120.394 1.177 . . . . 0.0 110.312 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -58.77 -27.91 65.43 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.849 0.86 . . . . 0.0 111.895 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.88 -24.29 66.84 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.859 1.264 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.53 -8.35 35.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.368 0.667 . . . . 0.0 111.301 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -105.31 24.4 12.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.946 0.898 . . . . 0.0 112.537 -169.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -20.13 61.23 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.693 0.797 . . . . 0.0 112.184 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -126.72 -20.7 4.23 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -162.84 161.5 26.01 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 141.39 28.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.597 0.759 . . . . 0.0 110.299 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.77 158.3 44.16 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.154 0.982 . . . . 0.0 110.412 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.06 144.83 32.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.559 1.544 . . . . 0.0 107.797 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.75 135.18 35.94 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.5 152.01 21.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 123.131 0.572 . . . . 0.0 110.18 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.27 137.04 53.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.68 125.82 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.755 0.422 . . . . 0.0 110.5 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.5 mt . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.647 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.8 t . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -137.65 178.52 7.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 126.433 1.893 . . . . 0.0 109.025 -169.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.2 m -127.66 135.76 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.94 151.85 49.21 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.052 1.341 . . . . 0.0 107.791 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -64.04 126.66 28.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 m -69.61 -4.72 20.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.355 2.262 . . . . 0.0 113.028 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.74 12.84 9.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.876 1.67 . . . . 0.0 109.222 177.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -111.13 147.74 14.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 O-C-N 120.467 -1.396 . . . . 0.0 108.609 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.11 112.19 11.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.21 152.1 45.49 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.338 0.59 . . . . 0.0 110.472 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.6 mt -119.43 132.1 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.05 39.39 11.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.072 1.749 . . . . 0.0 113.3 173.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 p -96.72 171.81 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.469 0.708 . . . . 0.0 110.508 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.22 157.68 36.46 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.328 0.585 . . . . 0.0 110.9 178.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.9 -38.32 72.64 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.621 0.768 . . . . 0.0 113.042 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -75.61 -38.12 59.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.274 0.943 . . . . 0.0 110.67 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.4 m -60.89 -47.32 86.95 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.153 0.981 . . . . 0.0 109.37 170.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -63.19 -45.18 92.96 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -60.39 -44.9 95.22 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.312 0.645 . . . . 0.0 111.17 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.28 95.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.172 0.442 . . . . 0.0 110.588 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.6 -51.48 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.991 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.14 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.086 0.857 . . . . 0.0 110.557 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.09 -41.64 92.94 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.707 0.803 . . . . 0.0 111.348 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -67.11 -41.2 86.6 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.211 0.46 . . . . 0.0 110.697 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.52 -44.92 77.23 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.636 0.653 . . . . 0.0 110.874 -175.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.251 1.8 p90 -76.27 -23.14 54.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.523 1.056 . . . . 0.0 111.642 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -66.88 -37.26 84.07 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.736 1.153 . . . . 0.0 109.14 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.51 -49.25 75.27 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.32 172.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -22.81 67.11 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.182 0.993 . . . . 0.0 112.76 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 . . . . . 0 CA--C 1.535 0.379 0 C-N-CA 123.993 0.917 . . . . 0.0 112.018 176.829 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.42 -40.38 94.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.08 0.552 . . . . 0.0 111.99 -174.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -83.77 -9.18 58.99 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.168 1.174 . . . . 0.0 114.168 -169.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.5 -24.74 0.14 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -79.25 -40.67 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 120.472 1.487 . . . . 0.0 109.341 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.11 15.34 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.856 0.862 . . . . 0.0 112.387 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.91 -33.58 35.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.539 -0.726 . . . . 0.0 112.265 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.72 -8.11 55.08 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.225 1.01 . . . . 0.0 112.135 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.42 171.86 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.681 -0.637 . . . . 0.0 111.613 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -150.31 -42.54 0.13 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.266 1.026 . . . . 0.0 110.156 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -121.42 178.17 4.91 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.876 1.271 . . . . 0.0 109.045 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -64.08 -37.88 89.04 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.902 -1.124 . . . . 0.0 112.183 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.69 -41.22 88.42 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -66.64 -34.19 77.31 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.008 -0.433 . . . . 0.0 110.503 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -68.22 -43.56 77.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.888 0.767 . . . . 0.0 110.12 176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.61 85.83 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.709 0.686 . . . . 0.0 110.517 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -37.47 85.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.696 -0.668 . . . . 0.0 112.114 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.57 -51.61 55.44 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -56.42 -47.36 79.19 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.22 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.46 -53.49 57.52 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.298 0.499 . . . . 0.0 110.786 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.52 -31.65 67.29 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.421 0.555 . . . . 0.0 111.276 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.67 -45.74 81.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.81 0.732 . . . . 0.0 110.314 175.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.11 -40.02 90.42 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.58 -0.724 . . . . 0.0 109.683 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.94 -34.42 73.22 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.063 0.847 . . . . 0.0 111.505 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.95 -22.09 46.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.166 0.586 . . . . 0.0 112.439 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.7 m -98.86 -47.25 5.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.001 0.52 . . . . 0.0 111.834 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.73 120.31 15.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -84.25 48.7 1.53 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.16 0.984 . . . . 0.0 109.99 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -63.45 159.43 50.83 Favored Pre-proline 0 CA--C 1.546 0.817 0 O-C-N 121.581 -0.699 . . . . 0.0 110.763 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.52 144.53 58.72 Favored 'Cis proline' 0 C--N 1.35 0.65 0 CA-C-N 119.998 1.035 . . . . 0.0 111.004 -5.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 160.74 41.05 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -88.58 144.32 26.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.38 171.07 31.63 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 119.201 0.909 . . . . 0.0 111.92 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -100.65 124.21 45.92 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 169.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.44 107.09 13.92 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -83.57 64.95 8.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.624 1.17 . . . . 0.0 107.865 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.248 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.3 mm . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -107.01 146.85 30.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 168.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.25 111.79 17.37 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -169.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -118.36 121.77 41.2 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -77.54 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.3 m -139.42 159.08 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.035 0.922 . . . . 0.0 110.558 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.77 123.2 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 168.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -85.01 130.52 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -88.18 -26.36 22.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.777 0.431 . . . . 0.0 110.418 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.76 176.04 34.42 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 95.0 mtp -64.09 150.69 44.96 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.31 166.79 15.11 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.9 149.71 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.628 2.219 . . . . 0.0 112.492 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.54 -30.19 64.99 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.846 0.459 . . . . 0.0 111.284 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.26 -26.61 68.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 112.52 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -81.49 -31.74 32.77 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.82 -0.55 . . . . 0.0 109.97 172.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.32 25.05 1.05 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.238 -169.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -19.95 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.33 1.052 . . . . 0.0 112.71 -175.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -133.35 -23.9 1.86 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.128 0.971 . . . . 0.0 113.049 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -155.59 158.66 38.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.53 143.85 29.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.8 158.46 44.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.967 0.907 . . . . 0.0 110.323 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.52 139.94 31.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 125.37 1.468 . . . . 0.0 108.022 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -78.78 135.13 37.01 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -139.22 151.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 123.035 0.534 . . . . 0.0 109.855 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.9 133.19 53.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -65.88 130.79 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 175.236 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -139.89 -177.27 4.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.917 2.087 . . . . 0.0 108.969 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.49 139.56 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 161.77 28.64 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.877 1.671 . . . . 0.0 107.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -85.05 144.42 28.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.51 -30.59 70.72 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 168.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -62.2 -13.17 24.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.576 1.951 . . . . 0.0 114.933 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -131.73 19.52 4.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 120.248 1.386 . . . . 0.0 112.39 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.07 152.5 13.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.651 1.581 . . . . 0.0 108.143 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.47 134.4 33.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.83 158.12 29.63 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.808 0.813 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -124.4 131.82 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.64 41.2 13.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.887 1.675 . . . . 0.0 113.143 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.38 171.47 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.513 0.725 . . . . 0.0 110.396 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 157.89 37.22 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.53 0.681 . . . . 0.0 110.802 178.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.66 -38.01 74.37 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.72 -175.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.93 -38.26 57.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.112 0.869 . . . . 0.0 110.601 -174.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.0 m -59.45 -50.29 74.49 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.75 0.82 . . . . 0.0 109.162 170.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.31 -38.31 89.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.286 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.96 -43.03 94.01 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.793 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.77 95.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.923 0.783 . . . . 0.0 110.612 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.37 -53.62 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.316 0.646 . . . . 0.0 109.59 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.12 91.16 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.23 0.468 . . . . 0.0 110.983 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.472 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 10.2 t70 -62.37 -46.96 86.27 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 110.292 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -63.38 -37.48 87.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.471 0.308 . . . . 0.0 111.166 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.16 -42.43 75.93 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 121.571 -0.705 . . . . 0.0 110.455 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.472 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 3.0 p90 -71.75 -33.47 68.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.431 174.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -58.82 -37.88 77.42 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 120.787 1.63 . . . . 0.0 111.725 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.83 -48.32 80.1 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.745 -0.597 . . . . 0.0 109.58 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.15 66.85 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 . . . . . 0 N--CA 1.468 0.446 0 CA-C-N 120.104 1.32 . . . . 0.0 111.674 172.149 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.15 -35.59 79.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.889 0.876 . . . . 0.0 112.502 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.8 p -102.8 -12.75 17.36 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -137.3 -14.74 1.5 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.31 -47.89 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 120.139 1.336 . . . . 0.0 109.473 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -120.16 13.46 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.471 0.708 . . . . 0.0 112.083 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.25 -35.25 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.471 1.108 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.75 -6.47 48.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.918 0.887 . . . . 0.0 111.898 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.82 165.71 24.8 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.651 -0.656 . . . . 0.0 111.662 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' H ' ' HB2' ' A' ' 27' ' ' GLU . 37.1 tt0 -148.41 -27.69 0.32 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.094 0.958 . . . . 0.0 112.164 -175.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -148.1 174.15 12.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.099 1.36 . . . . 0.0 107.909 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -56.19 -36.44 68.39 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.846 1.259 . . . . 0.0 114.304 -170.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.96 -37.95 82.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HB2' ' H ' ' A' ' 23' ' ' GLU . 48.3 mm-40 -73.07 -34.37 66.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.701 -0.624 . . . . 0.0 110.323 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -43.84 97.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.364 0.983 . . . . 0.0 109.235 172.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.92 93.23 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.349 0.522 . . . . 0.0 110.461 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -62.99 -40.48 97.88 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.153 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.06 -51.51 57.9 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.034 0.834 . . . . 0.0 111.106 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -59.18 -45.81 90.04 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.304 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -59.78 -48.86 79.99 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.327 0.651 . . . . 0.0 110.422 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -65.15 -41.2 94.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.558 0.617 . . . . 0.0 110.58 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.68 -46.0 77.07 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.099 0.409 . . . . 0.0 110.568 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.76 -40.2 88.16 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.74 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.89 -34.56 73.34 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.932 0.787 . . . . 0.0 111.567 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -78.8 -21.73 47.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.29 0.636 . . . . 0.0 112.404 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.9 m -100.17 -45.72 5.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.962 0.505 . . . . 0.0 112.236 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -71.3 126.32 29.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -170.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.75 44.16 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.238 1.415 . . . . 0.0 110.384 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -63.57 156.73 69.82 Favored Pre-proline 0 CA--C 1.545 0.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.938 174.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.03 145.9 76.54 Favored 'Cis proline' 0 C--N 1.349 0.57 0 CA-C-N 119.649 0.91 . . . . 0.0 111.666 -4.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -147.71 167.14 25.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.272 1.029 . . . . 0.0 109.381 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -94.16 145.16 24.89 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.26 -0.9 . . . . 0.0 108.941 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.59 171.0 31.77 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 119.753 1.161 . . . . 0.0 111.544 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -101.07 124.52 46.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.54 102.67 10.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -86.85 64.52 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.495 1.918 . . . . 0.0 106.317 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.0 tttm . . . . . 0 C--N 1.33 -0.278 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -173.788 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 mm . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -113.51 149.79 33.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 104.44 -2.43 . . . . 0.0 104.44 169.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.2 126.8 41.7 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.229 -0.919 . . . . 0.0 109.224 -169.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -137.35 130.34 30.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 m -81.27 128.51 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.8 154.53 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 122.257 1.027 . . . . 0.0 110.587 -171.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.19 126.03 44.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 168.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.8 t -96.4 111.75 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -38.52 59.78 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.137 0.575 . . . . 0.0 110.216 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.07 178.24 38.18 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.0 mtp -64.4 151.29 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.32 0.581 . . . . 0.0 110.109 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 165.43 8.2 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.241 1.017 . . . . 0.0 109.897 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -62.83 163.97 20.32 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.838 1.692 . . . . 0.0 111.604 174.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.18 -28.33 64.67 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.976 0.91 . . . . 0.0 112.166 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.33 -31.2 71.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.436 0.694 . . . . 0.0 111.888 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -86.89 -43.65 12.27 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.0 m -71.85 2.65 5.16 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.04 -20.09 53.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.237 1.415 . . . . 0.0 110.837 169.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -106.87 -41.82 5.1 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.553 0.741 . . . . 0.0 110.02 -169.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -165.4 166.41 18.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.166 1.386 . . . . 0.0 107.544 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -79.47 125.92 30.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 119.905 1.23 . . . . 0.0 108.514 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -134.83 158.42 44.25 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.431 1.093 . . . . 0.0 109.485 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.99 140.98 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.989 1.315 . . . . 0.0 108.005 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -80.15 131.53 35.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.95 151.27 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.72 0.808 . . . . 0.0 109.324 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.67 126.85 48.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.28 120.38 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 123.349 0.66 . . . . 0.0 109.263 177.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -142.04 -161.11 1.18 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.924 1.69 . . . . 0.0 108.986 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -129.14 143.62 50.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.242 0.928 . . . . 0.0 109.721 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.19 156.92 45.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.985 1.714 . . . . 0.0 108.807 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -72.1 137.75 47.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 169.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.22 -29.32 68.66 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 m -61.96 -15.89 47.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.833 1.653 . . . . 0.0 113.362 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.89 12.34 16.85 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.469 1.108 . . . . 0.0 109.088 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.91 146.35 18.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.507 -1.371 . . . . 0.0 108.97 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -133.66 113.61 12.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 170.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.24 152.47 44.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.417 0.627 . . . . 0.0 110.26 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -119.49 132.36 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.62 39.46 9.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.022 1.729 . . . . 0.0 113.176 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 p -95.86 173.22 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.668 0.787 . . . . 0.0 110.37 -175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.34 158.83 25.43 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 122.142 0.972 . . . . 0.0 110.552 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.15 -41.95 97.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.761 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -74.81 -27.8 60.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.368 0.531 . . . . 0.0 110.71 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.2 m -69.55 -47.69 62.81 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -44.73 96.3 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.74 -43.06 98.41 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.137 0.575 . . . . 0.0 111.517 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.38 99.49 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.868 0.758 . . . . 0.0 111.227 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -66.08 -50.25 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.78 74.86 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.045 0.538 . . . . 0.0 110.379 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.43 -36.97 85.54 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -67.14 -36.15 81.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.928 -0.483 . . . . 0.0 110.778 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.19 -31.48 71.91 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.273 -0.892 . . . . 0.0 110.992 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -61.73 -51.04 69.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.536 1.062 . . . . 0.0 109.253 171.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -57.96 -41.25 82.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.23 1.012 . . . . 0.0 111.555 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.07 -51.36 69.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.396 1.078 . . . . 0.0 110.4 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.2 72.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.915 0.486 . . . . 0.0 111.866 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 N--CA 1.466 0.364 0 C-N-CA 124.823 1.249 . . . . 0.0 112.656 177.023 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.21 -42.46 98.63 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.526 -173.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -100.58 -13.39 18.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.244 0.929 . . . . 0.0 113.209 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 -19.96 5.76 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.109 0.868 . . . . 0.0 112.698 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -116.47 -48.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.658 1.117 . . . . 0.0 110.283 -170.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 pt -115.73 11.83 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.064 0.847 . . . . 0.0 112.46 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.96 -35.34 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.363 1.065 . . . . 0.0 112.616 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.52 -8.34 47.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.113 0.965 . . . . 0.0 112.022 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 176.93 9.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.659 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -144.98 -44.44 0.23 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.929 0.892 . . . . 0.0 110.737 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -139.74 172.72 12.38 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.604 1.162 . . . . 0.0 109.075 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -37.63 26.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -169.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -69.79 -42.66 73.45 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -70.22 -35.79 74.11 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.333 0.653 . . . . 0.0 110.087 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -68.14 -41.64 81.36 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.698 -0.626 . . . . 0.0 109.328 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.72 91.13 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.774 0.43 . . . . 0.0 110.533 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -39.78 95.37 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.753 0.706 . . . . 0.0 111.73 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.59 62.67 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 119.195 0.907 . . . . 0.0 111.118 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -57.52 -49.02 77.68 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.969 0.507 . . . . 0.0 111.173 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.78 -47.31 86.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.647 0.779 . . . . 0.0 110.554 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -65.28 -43.46 91.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.583 0.629 . . . . 0.0 110.34 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.23 -45.75 86.81 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.008 0.367 . . . . 0.0 110.365 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.67 -44.27 82.27 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.781 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.5 -34.35 72.48 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.879 0.763 . . . . 0.0 111.898 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.4 -22.86 50.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.169 0.588 . . . . 0.0 112.56 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -100.23 -45.28 5.67 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.022 0.529 . . . . 0.0 112.168 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.17 125.9 27.84 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.869 0.867 . . . . 0.0 108.698 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -83.23 47.19 1.21 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.202 1.401 . . . . 0.0 110.232 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 29.7 p90 -64.65 159.0 64.94 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 121.287 -0.883 . . . . 0.0 110.644 175.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.46 144.78 64.53 Favored 'Cis proline' 0 C--N 1.349 0.59 0 CA-C-N 119.789 0.96 . . . . 0.0 110.721 -8.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.11 164.35 32.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -93.01 145.54 24.29 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.474 -0.766 . . . . 0.0 109.075 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.85 170.95 33.16 Favored Glycine 0 C--N 1.333 0.364 0 O-C-N 121.481 -0.762 . . . . 0.0 111.907 174.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -99.7 124.08 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -85.59 106.09 16.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.246 -2.502 . . . . 0.0 104.246 169.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -83.99 63.71 7.75 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 C--N 1.332 -0.167 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -173.665 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--O 1.234 0.253 0 CA-C-O 122.304 1.049 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.87 141.43 48.41 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.112 2.565 . . . . 0.0 104.38 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -110.82 99.9 8.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -168.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -92.87 138.05 31.83 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 m -97.57 125.18 42.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -139.21 157.63 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 122.215 1.007 . . . . 0.0 110.611 -169.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -105.54 122.36 45.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.75 135.75 24.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -93.7 -25.21 17.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.937 0.495 . . . . 0.0 110.503 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.63 176.74 32.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 -178.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.7 mmm -61.46 148.57 41.42 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.07 166.89 11.08 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.21 0.604 . . . . 0.0 110.501 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.17 155.41 9.13 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.049 2.5 . . . . 0.0 112.834 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.01 -32.44 67.93 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.251 0.62 . . . . 0.0 111.613 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.6 -27.46 66.93 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.104 0.562 . . . . 0.0 112.054 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.05 -40.78 26.99 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 171.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.0 m -78.22 8.21 5.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.687 0.795 . . . . 0.0 112.834 -172.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -21.95 59.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.629 1.971 . . . . 0.0 111.168 -176.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -124.85 -27.54 3.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.391 0.677 . . . . 0.0 112.72 -172.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -160.41 162.18 33.21 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.93 130.17 35.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.474 1.034 . . . . 0.0 108.973 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -137.12 158.38 44.57 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.895 0.878 . . . . 0.0 110.331 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.22 141.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 125.701 1.6 . . . . 0.0 107.596 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.41 135.03 37.33 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.0 m -141.07 149.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.84 129.08 49.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.34 138.69 57.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.0 mt . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 124.57 1.148 . . . . 0.0 108.855 177.707 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 121.774 0.797 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -142.02 -177.6 5.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.205 2.202 . . . . 0.0 108.346 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 m -129.84 136.89 50.09 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.52 48.06 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.256 1.423 . . . . 0.0 108.181 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -71.52 135.72 47.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 170.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.96 -28.52 67.72 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 169.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -61.55 -11.66 12.05 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.986 2.115 . . . . 0.0 113.815 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.7 16.81 4.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.573 1.149 . . . . 0.0 110.06 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.26 146.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -132.6 105.06 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.62 150.05 49.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 110.332 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.2 mt -118.75 132.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.45 39.49 9.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.028 1.731 . . . . 0.0 113.124 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 p -96.43 171.41 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.626 0.77 . . . . 0.0 110.434 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.13 159.11 26.9 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.055 0.931 . . . . 0.0 110.648 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.83 -41.07 95.05 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.379 1.071 . . . . 0.0 110.822 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -74.18 -28.98 61.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.365 0.529 . . . . 0.0 110.7 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.7 m -69.63 -47.45 63.39 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.23 -44.53 97.12 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.81 -44.33 94.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.34 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.04 99.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.251 0.932 . . . . 0.0 111.5 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.94 -50.47 74.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.69 82.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.194 0.598 . . . . 0.0 109.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.576 1.151 . . . . 0.0 111.364 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -66.3 -43.0 87.5 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.718 0.407 . . . . 0.0 110.654 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.07 -35.56 80.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.696 0.68 . . . . 0.0 111.277 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.93 -39.15 83.55 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 119.189 0.904 . . . . 0.0 110.864 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -63.01 -43.66 98.15 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.58 -49.83 69.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 109.966 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.47 -25.79 65.16 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.209 1.004 . . . . 0.0 112.982 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? . . . . . 0 N--CA 1.467 0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 111.926 -177.275 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.28 -36.84 82.39 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -98.66 -10.99 22.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -169.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.0 -18.84 0.5 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 mt -91.13 -47.5 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 120.987 1.721 . . . . 0.0 109.876 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.43 14.25 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.838 0.855 . . . . 0.0 112.165 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.87 -35.08 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.235 1.014 . . . . 0.0 112.739 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.98 -8.36 54.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.972 0.909 . . . . 0.0 112.152 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 173.85 11.15 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.292 0.637 . . . . 0.0 111.92 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.33 -45.53 0.15 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.091 0.956 . . . . 0.0 110.061 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -138.89 173.31 11.7 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.3 1.44 . . . . 0.0 108.82 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -44.72 -45.13 9.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.209 2.204 . . . . 0.0 115.009 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.6 -41.37 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -68.4 -33.66 74.63 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.217 0.607 . . . . 0.0 110.332 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.75 -44.51 77.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.56 93.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.243 0.474 . . . . 0.0 110.624 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.1 mmt -64.75 -36.41 84.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.331 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.46 -52.68 51.39 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -56.37 -48.2 77.32 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.57 0.348 . . . . 0.0 111.443 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -60.76 -48.98 79.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.922 0.489 . . . . 0.0 110.755 -176.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -66.97 -39.69 87.26 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.504 0.593 . . . . 0.0 110.585 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.57 -47.39 81.73 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.265 0.484 . . . . 0.0 110.312 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.96 -42.76 94.32 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 123.156 0.582 . . . . 0.0 109.635 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.6 -33.44 72.75 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.718 0.69 . . . . 0.0 111.71 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -80.44 -22.08 41.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.155 0.582 . . . . 0.0 112.448 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -100.91 -45.46 5.43 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.0 127.41 32.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.632 0.773 . . . . 0.0 109.354 -169.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.15 43.43 0.87 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.383 1.473 . . . . 0.0 110.378 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -63.44 158.0 60.99 Favored Pre-proline 0 CA--C 1.547 0.828 0 O-C-N 121.042 -1.036 . . . . 0.0 110.264 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -65.75 144.93 66.4 Favored 'Cis proline' 0 C--N 1.348 0.53 0 CA-C-N 119.845 0.98 . . . . 0.0 110.887 -7.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -146.98 161.38 40.91 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -84.67 147.05 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.02 169.63 33.13 Favored Glycine 0 N--CA 1.45 -0.383 0 O-C-N 121.41 -0.806 . . . . 0.0 111.652 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -97.44 128.92 44.63 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 169.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -89.08 106.85 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -80.83 76.12 7.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 169.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.2 tttt . . . . . 0 C--N 1.332 -0.188 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 mm . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -136.45 105.98 6.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -76.29 134.56 39.73 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.258 0.623 . . . . 0.0 109.965 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -126.79 154.31 44.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.4 m -104.71 125.75 51.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.32 160.36 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.843 0.83 . . . . 0.0 110.323 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -108.89 120.04 41.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -79.66 136.96 22.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.08 -25.47 15.88 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.748 0.419 . . . . 0.0 111.033 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.74 171.9 28.43 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 108.743 -1.743 . . . . 0.0 108.743 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.2 mtp -66.09 152.43 44.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.87 164.22 18.18 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 123.409 0.684 . . . . 0.0 110.072 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -64.31 160.85 36.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.077 1.851 . . . . 0.0 111.589 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -26.77 49.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.906 1.282 . . . . 0.0 113.288 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.5 -31.37 72.51 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.759 0.824 . . . . 0.0 111.747 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -82.41 -46.99 12.8 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.2 m -69.84 12.12 0.23 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -169.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.95 -7.52 57.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.611 1.564 . . . . 0.0 111.398 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -118.89 -34.26 3.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.115 0.966 . . . . 0.0 112.733 -169.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -163.5 174.31 12.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 128.023 2.529 . . . . 0.0 104.25 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.4 mmt -88.74 138.41 31.45 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 169.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -139.37 158.31 44.37 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.986 -174.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 m -142.38 142.49 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.579 1.551 . . . . 0.0 108.18 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -80.09 135.85 36.42 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.14 148.61 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 123.218 0.607 . . . . 0.0 109.914 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.47 132.06 55.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -85.21 90.36 7.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -169.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 125.274 1.43 . . . . 0.0 108.953 -178.745 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 121.603 0.716 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -133.68 -177.42 4.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.608 2.363 . . . . 0.0 108.271 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -127.58 139.72 52.58 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.18 157.99 40.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 107.532 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -76.51 142.87 40.75 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.985 -1.858 . . . . 0.0 105.985 169.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.0 -30.01 70.04 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 168.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -58.37 -18.65 29.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.827 2.051 . . . . 0.0 113.733 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.95 6.26 19.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.262 1.425 . . . . 0.0 110.344 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.5 mm -112.36 146.17 17.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.779 -1.201 . . . . 0.0 108.661 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -130.54 102.58 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 150.39 48.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 0.0 110.653 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -122.32 133.17 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 49.93 41.84 23.47 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.837 1.655 . . . . 0.0 113.468 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.71 174.25 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.488 0.715 . . . . 0.0 110.817 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.17 163.35 26.54 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.74 0.781 . . . . 0.0 110.3 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.4 -37.96 82.45 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.965 1.306 . . . . 0.0 110.839 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -72.24 -32.67 66.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.031 0.832 . . . . 0.0 111.0 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.7 m -69.77 -48.65 58.46 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -64.57 -33.98 77.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.197 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.44 -48.06 76.75 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 123.953 0.901 . . . . 0.0 110.539 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.17 86.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.522 0.601 . . . . 0.0 110.765 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.62 -52.54 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.79 89.17 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.352 0.524 . . . . 0.0 110.31 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.51 -39.22 90.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.329 1.052 . . . . 0.0 110.793 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -65.05 -44.43 89.05 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.028 0.531 . . . . 0.0 110.502 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.5 -31.85 73.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.29 -35.8 63.74 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.814 1.188 . . . . 0.0 111.344 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -63.63 -41.63 98.23 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.417 -0.802 . . . . 0.0 110.159 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.34 -52.85 62.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.195 0.998 . . . . 0.0 110.47 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.47 59.16 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.33 1.052 . . . . 0.0 112.516 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.16 -38.38 88.82 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.092 0.957 . . . . 0.0 112.17 -172.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.1 p -105.64 -3.72 21.91 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -135.85 -19.5 1.56 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.015 0.825 . . . . 0.0 112.985 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt -117.09 -49.91 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.347 0.976 . . . . 0.0 109.566 -172.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -116.27 13.84 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.617 0.767 . . . . 0.0 111.917 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.2 -35.63 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.532 1.133 . . . . 0.0 112.532 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.17 -14.71 46.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.215 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.58 168.45 15.35 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.89 0.876 . . . . 0.0 111.584 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -147.86 -37.79 0.19 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.921 0.888 . . . . 0.0 109.978 169.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -114.11 170.17 8.48 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.455 1.025 . . . . 0.0 110.099 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -55.88 -42.08 75.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.569 1.147 . . . . 0.0 112.008 -169.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.6 -41.42 79.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.594 0.757 . . . . 0.0 110.389 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -62.27 -45.43 93.3 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.94 93.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -62.41 -37.67 86.71 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 118.648 -0.692 . . . . 0.0 112.212 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.42 67.89 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.356 0.98 . . . . 0.0 110.75 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -57.33 -46.4 83.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.731 0.413 . . . . 0.0 111.013 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -61.99 -48.28 81.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.88 0.872 . . . . 0.0 111.079 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -63.41 -42.78 98.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.558 0.617 . . . . 0.0 110.071 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.44 -46.58 82.54 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.658 0.208 . . . . 0.0 110.572 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.57 -43.77 84.07 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.927 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.63 -33.6 71.73 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.647 0.658 . . . . 0.0 111.946 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.92 -22.65 45.5 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -100.64 -45.48 5.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.5 mt -67.69 127.39 32.6 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.54 46.45 1.3 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 110.24 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 24.5 p90 -64.86 160.76 52.36 Favored Pre-proline 0 CA--C 1.546 0.805 0 O-C-N 121.245 -0.909 . . . . 0.0 111.003 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.57 142.02 24.18 Favored 'Cis proline' 0 C--N 1.35 0.643 0 CA-C-N 119.903 1.001 . . . . 0.0 111.52 -10.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -144.45 160.58 40.84 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 118.318 0.508 . . . . 0.0 109.827 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ttt -88.93 145.53 25.47 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.535 -0.728 . . . . 0.0 109.089 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.4 171.23 33.5 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 121.567 -0.708 . . . . 0.0 111.351 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -99.81 122.51 42.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.08 108.29 14.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 102.463 -3.162 . . . . 0.0 102.463 168.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -90.07 64.33 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm . . . . . 0 N--CA 1.451 -0.396 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.492 -169.785 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.79 98.27 11.51 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.68 131.34 45.41 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 121.416 -0.802 . . . . 0.0 108.979 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -137.05 135.82 37.87 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -93.64 126.29 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 m -139.17 156.32 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 122.131 0.967 . . . . 0.0 110.882 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -105.53 117.45 34.04 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -78.27 138.8 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.88 -24.12 14.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.041 0.536 . . . . 0.0 110.997 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.05 173.38 30.64 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 91.7 mmm -62.31 147.71 47.33 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 169.16 9.23 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.519 0.728 . . . . 0.0 110.373 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -52.49 155.46 9.91 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.078 2.519 . . . . 0.0 113.282 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.99 -29.13 65.01 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.808 0.843 . . . . 0.0 111.858 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.24 -29.88 70.71 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.266 0.626 . . . . 0.0 111.651 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -79.92 -47.04 15.68 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 171.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.2 m -71.52 13.48 0.25 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.35 -9.77 57.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.468 1.507 . . . . 0.0 111.797 170.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.75 -38.03 3.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.802 0.841 . . . . 0.0 112.164 -169.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -155.64 175.22 14.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -87.45 134.3 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -134.35 156.37 48.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 109.775 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.76 141.03 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 125.594 1.558 . . . . 0.0 107.692 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.87 135.68 37.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 169.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.41 150.61 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 123.347 0.659 . . . . 0.0 109.694 -175.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.05 140.38 51.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -71.96 127.61 33.11 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.791 0.436 . . . . 0.0 110.79 -176.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 0.0 109.352 175.279 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.0 t . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -138.62 179.72 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.491 1.916 . . . . 0.0 108.778 -169.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.8 m -129.35 138.58 51.62 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.88 154.44 49.2 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.331 1.452 . . . . 0.0 107.556 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -72.43 143.04 48.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.93 -29.49 69.65 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 168.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 m -60.88 -13.49 16.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.57 1.948 . . . . 0.0 113.734 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.43 6.0 18.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.23 1.412 . . . . 0.0 110.497 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.54 151.29 20.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.665 1.586 . . . . 0.0 108.776 -169.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -133.2 111.43 10.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.76 50.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.068 0.461 . . . . 0.0 110.012 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.8 mt -118.42 132.41 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.02 39.65 8.12 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.044 1.737 . . . . 0.0 112.994 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.28 170.82 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.606 0.762 . . . . 0.0 110.492 -172.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -66.15 159.33 26.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 122.19 0.995 . . . . 0.0 110.554 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.672 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.05 -29.44 61.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 0.513 . . . . 0.0 110.632 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.1 m -67.43 -49.74 62.41 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.79 -35.02 79.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.97 -0.538 . . . . 0.0 111.243 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.49 -43.09 86.32 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.811 0.732 . . . . 0.0 110.897 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.49 96.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.925 0.784 . . . . 0.0 110.961 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mt -62.97 -50.49 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.4 91.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.505 0.593 . . . . 0.0 110.368 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.33 -38.74 92.09 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.197 0.599 . . . . 0.0 111.888 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.88 -40.52 95.24 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.443 0.297 . . . . 0.0 110.554 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.0 mt -66.76 -35.39 79.98 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.892 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.94 -46.84 89.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.462 1.028 . . . . 0.0 109.629 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -61.91 -42.98 99.71 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.026 -0.421 . . . . 0.0 111.211 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.02 -46.51 88.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.402 0.681 . . . . 0.0 109.91 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.48 -16.55 63.48 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.746 0.818 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 118.726 0.694 . . . . 0.0 112.282 -171.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.234 0.266 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.01 -41.18 96.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.61 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.9 p -94.88 -6.94 41.53 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -139.24 -19.57 0.97 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.3 mt -117.49 -44.1 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 119.565 1.075 . . . . 0.0 109.817 -170.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 pt -118.28 14.28 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.594 0.758 . . . . 0.0 111.747 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.32 -35.2 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.431 1.092 . . . . 0.0 112.187 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -89.06 -10.47 47.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.932 0.893 . . . . 0.0 112.08 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 171.67 14.86 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.715 0.806 . . . . 0.0 111.664 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -138.79 -41.88 0.48 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.089 0.955 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -141.74 172.46 12.66 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 109.303 -175.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -38.67 20.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -169.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.18 -44.19 69.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -68.11 -34.79 77.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.018 0.527 . . . . 0.0 110.176 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -68.89 -42.17 77.29 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.56 93.56 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.102 0.41 . . . . 0.0 110.151 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -63.63 -38.21 90.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.968 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.25 -50.87 61.18 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 119.182 0.901 . . . . 0.0 111.013 175.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -57.55 -49.28 76.89 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.01 0.405 . . . . 0.0 111.167 174.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -60.04 -47.43 85.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.752 0.821 . . . . 0.0 110.9 -174.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.81 -43.96 87.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.305 0.502 . . . . 0.0 110.139 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -63.29 -45.1 92.98 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.663 0.385 . . . . 0.0 110.47 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.73 -46.07 76.65 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.855 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.05 -33.68 72.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.017 0.826 . . . . 0.0 112.027 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -75.98 -25.58 55.94 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.141 0.577 . . . . 0.0 112.379 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.1 m -96.83 -46.84 6.09 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.197 0.453 . . . . 0.0 111.636 -170.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.12 121.92 16.25 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -83.93 63.36 7.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.965 0.906 . . . . 0.0 109.971 -174.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -61.54 157.29 47.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.026 0.93 . . . . 0.0 112.36 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.89 151.54 95.83 Favored 'Cis proline' 0 C--N 1.349 0.559 0 N-CA-C 108.893 -1.234 . . . . 0.0 108.893 -10.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -141.43 158.35 43.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.433 0.561 . . . . 0.0 110.78 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.24 144.37 26.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.54 169.22 32.82 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -96.93 126.38 42.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.79 103.01 12.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 104.211 -2.514 . . . . 0.0 104.211 169.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -96.05 65.97 2.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 C--O 1.232 0.15 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.744 -173.015 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mm . . . . . 0 C--O 1.233 0.235 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.16 151.24 27.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 169.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -128.54 137.07 51.56 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.356 -0.84 . . . . 0.0 111.411 -169.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -136.11 142.78 44.31 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 168.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -95.51 126.61 40.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.34 156.37 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 122.26 1.029 . . . . 0.0 111.622 -169.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -105.73 117.84 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 169.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -82.88 142.03 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.45 -22.04 13.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.241 0.616 . . . . 0.0 111.602 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.65 175.64 31.88 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -63.5 153.1 36.61 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 169.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.67 169.36 6.55 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 122.948 0.499 . . . . 0.0 109.823 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.56 154.3 9.22 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.715 2.277 . . . . 0.0 112.592 170.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.52 -29.08 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.672 0.789 . . . . 0.0 111.999 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.84 -32.14 73.3 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.602 0.761 . . . . 0.0 111.906 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.43 -43.98 16.62 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 173.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.2 m -72.95 7.47 2.03 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.74 -12.35 51.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.569 1.548 . . . . 0.0 111.602 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -115.95 -38.84 3.56 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.573 0.749 . . . . 0.0 111.474 -169.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -159.76 172.77 17.09 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -82.47 136.33 34.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 121.064 1.756 . . . . 0.0 108.45 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -140.2 156.87 46.33 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.064 0.946 . . . . 0.0 109.75 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.8 m -140.2 142.76 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 125.503 1.521 . . . . 0.0 108.17 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.91 135.75 37.08 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.88 151.06 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.201 0.601 . . . . 0.0 110.057 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.92 139.79 52.8 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.52 127.51 32.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 122.883 0.473 . . . . 0.0 110.823 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 123.436 0.695 . . . . 0.0 109.38 175.162 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -137.89 179.82 6.2 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 126.438 1.895 . . . . 0.0 109.008 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 m -129.08 136.3 50.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 171.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.75 149.91 49.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 107.683 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -68.32 137.23 54.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 169.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.92 -27.97 68.59 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 169.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -60.88 -13.57 16.57 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.362 2.265 . . . . 0.0 113.243 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.38 11.89 8.72 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.578 1.551 . . . . 0.0 109.168 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.3 147.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 O-C-N 120.779 -1.2 . . . . 0.0 107.942 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -136.29 116.18 13.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.25 152.46 45.02 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.453 0.644 . . . . 0.0 110.259 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.48 131.49 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.35 37.92 9.53 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.292 1.837 . . . . 0.0 113.483 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.21 169.72 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 121.748 -0.595 . . . . 0.0 110.882 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.37 159.19 35.0 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 111.117 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.35 -37.35 72.44 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.799 0.84 . . . . 0.0 113.117 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.05 -39.16 56.15 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.373 0.988 . . . . 0.0 110.417 -174.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.5 m -60.38 -46.87 88.43 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.669 0.788 . . . . 0.0 109.412 170.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.0 -45.1 95.09 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.93 -41.08 97.53 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 118.97 0.804 . . . . 0.0 111.561 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.42 97.51 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.857 0.753 . . . . 0.0 111.383 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.21 -49.86 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.75 80.21 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.453 0.701 . . . . 0.0 109.841 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.34 -43.7 96.2 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.996 0.919 . . . . 0.0 112.08 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.77 -0.581 . . . . 0.0 110.165 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.63 -33.95 73.36 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.634 0.652 . . . . 0.0 111.449 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.92 -46.79 87.78 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 119.326 0.966 . . . . 0.0 109.792 173.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -63.86 -41.89 97.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.717 0.807 . . . . 0.0 109.253 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.19 -51.22 68.83 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.523 0.729 . . . . 0.0 109.58 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -25.66 68.07 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.971 1.308 . . . . 0.0 112.669 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 . . . . . 0 CA--C 1.533 0.3 0 C-N-CA 123.793 0.837 . . . . 0.0 113.135 -179.77 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.67 -34.93 78.95 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -170.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.6 p -107.55 2.24 23.93 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.17 -46.96 0.26 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.766 0.712 . . . . 0.0 112.566 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt -78.41 -45.98 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.46 1.027 . . . . 0.0 110.143 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.8 pt -122.41 14.01 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 112.011 -175.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.1 -34.99 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 O-C-N 121.439 -0.788 . . . . 0.0 112.172 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.31 -13.75 58.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.237 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.94 175.25 10.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.846 0.859 . . . . 0.0 111.817 -175.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -149.0 -47.24 0.14 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.229 1.011 . . . . 0.0 109.295 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -123.62 173.07 8.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.327 1.051 . . . . 0.0 109.442 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -52.11 -44.11 64.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.713 1.205 . . . . 0.0 113.348 -168.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.13 -39.31 82.74 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -70.26 -35.49 73.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.308 0.643 . . . . 0.0 110.327 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -66.46 -42.79 87.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.131 0.878 . . . . 0.0 109.57 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.77 94.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.589 0.355 . . . . 0.0 110.786 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.9 mmt -65.92 -35.7 81.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.753 -0.642 . . . . 0.0 112.326 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.95 59.95 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -57.7 -48.53 79.3 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 118.875 -0.584 . . . . 0.0 111.488 172.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.43 -53.56 56.77 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.843 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -72.51 -32.9 66.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.873 -0.584 . . . . 0.0 111.117 -174.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.03 -46.93 86.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.001 0.819 . . . . 0.0 110.092 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.39 -43.17 82.01 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.72 -32.85 70.91 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.831 0.741 . . . . 0.0 111.957 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.08 -22.08 39.48 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.7 m -100.36 -46.04 5.38 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.815 -0.553 . . . . 0.0 112.098 -169.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.36 123.18 20.52 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -170.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.56 51.57 2.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.607 0.763 . . . . 0.0 109.966 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -62.79 156.93 62.87 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 121.816 -0.552 . . . . 0.0 111.204 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -68.1 145.16 74.88 Favored 'Cis proline' 0 CA--C 1.536 0.583 0 CA-C-N 119.356 0.806 . . . . 0.0 111.473 -5.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -146.91 160.53 42.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.348 1.059 . . . . 0.0 108.969 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.44 143.64 26.86 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.143 -0.973 . . . . 0.0 109.411 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.97 167.9 31.76 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 119.407 1.003 . . . . 0.0 111.348 171.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -96.1 127.35 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.99 102.09 12.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -89.78 66.23 7.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 tttm . . . . . 0 C--N 1.333 -0.148 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -173.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.9 mm . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -112.24 153.06 27.7 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 169.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -128.24 127.04 42.09 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.24 -0.912 . . . . 0.0 109.598 -172.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -131.46 147.84 52.59 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -99.66 131.69 45.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.8 m -142.36 156.9 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 122.276 1.036 . . . . 0.0 110.911 -169.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.79 114.09 27.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 t -76.22 124.5 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.32 -31.99 12.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.208 0.603 . . . . 0.0 111.994 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.33 171.79 33.77 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.9 mmm -64.37 145.97 55.2 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.73 167.41 16.53 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.58 142.57 23.75 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.565 2.177 . . . . 0.0 112.739 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -59.33 -27.95 66.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.531 0.732 . . . . 0.0 111.438 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -62.05 -24.78 67.29 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -91.42 -24.09 19.83 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.889 -0.507 . . . . 0.0 110.776 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -83.63 24.81 0.83 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.963 0.905 . . . . 0.0 113.403 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -16.17 53.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.851 0.861 . . . . 0.0 112.969 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -130.16 -26.87 2.31 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -169.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.7 140.44 32.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 171.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -134.64 153.15 52.11 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.271 0.628 . . . . 0.0 109.513 -177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.36 141.86 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.671 1.188 . . . . 0.0 108.543 -174.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.99 140.2 38.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 171.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.9 m -142.62 151.45 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 122.996 0.518 . . . . 0.0 110.17 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.5 139.68 53.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.04 140.41 52.82 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.858 0.463 . . . . 0.0 111.861 -175.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.48 . . . . 0.0 108.856 172.515 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 C--O 1.235 0.333 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -135.92 179.14 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.407 1.883 . . . . 0.0 108.47 -172.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.42 137.12 50.72 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.96 155.06 43.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.18 1.392 . . . . 0.0 107.937 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.61 142.79 42.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.33 -28.65 69.36 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -57.9 -16.53 12.32 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.989 1.716 . . . . 0.0 114.286 171.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -119.65 10.94 11.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.031 1.332 . . . . 0.0 109.671 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -114.96 149.08 17.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 120.533 -1.354 . . . . 0.0 108.382 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 156.02 39.62 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.657 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -122.66 131.05 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.8 37.11 9.17 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.101 1.76 . . . . 0.0 113.541 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -93.96 173.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.383 0.673 . . . . 0.0 110.641 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.7 159.95 26.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 122.14 0.972 . . . . 0.0 110.565 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.44 -39.46 90.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.934 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -74.9 -34.34 62.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.505 0.593 . . . . 0.0 110.806 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 65.2 m -64.85 -48.72 73.31 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -65.97 -36.01 82.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.49 -176.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.83 -42.59 94.84 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 119.004 0.82 . . . . 0.0 111.18 176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.49 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.202 0.455 . . . . 0.0 110.607 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.53 -51.06 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.31 -49.91 74.61 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.157 0.583 . . . . 0.0 110.129 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.28 -31.44 72.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -68.27 -43.94 76.68 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.813 -0.555 . . . . 0.0 110.4 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.86 -36.61 84.9 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.371 -0.83 . . . . 0.0 110.168 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -66.3 -36.0 81.81 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.438 -0.789 . . . . 0.0 110.39 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -67.43 -41.76 84.28 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.351 -1.468 . . . . 0.0 110.098 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.99 -50.4 72.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.182 0.993 . . . . 0.0 109.802 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.74 68.53 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.62 176.153 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.05 -32.31 69.64 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.02 1.328 . . . . 0.0 112.313 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -105.93 7.43 32.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 112.751 -172.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.83 -50.22 0.4 Allowed 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.897 0.771 . . . . 0.0 111.893 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 mt -80.92 -46.66 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.0 pt -120.4 12.28 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 123.338 0.655 . . . . 0.0 112.354 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.94 -34.16 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 123.866 0.866 . . . . 0.0 112.117 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -88.83 -9.29 52.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.957 0.903 . . . . 0.0 112.127 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.69 172.34 13.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.385 0.674 . . . . 0.0 111.722 -175.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -152.58 -40.3 0.1 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.339 1.055 . . . . 0.0 110.186 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.35 173.01 11.72 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.95 1.3 . . . . 0.0 108.653 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.96 -39.52 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 125.863 1.665 . . . . 0.0 113.368 -172.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 -42.02 85.54 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -69.45 -35.27 75.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.969 -0.457 . . . . 0.0 110.352 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -67.14 -41.91 85.3 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.013 0.824 . . . . 0.0 109.971 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.51 97.79 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.461 0.573 . . . . 0.0 110.209 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -64.2 -38.65 91.81 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.686 -0.674 . . . . 0.0 112.296 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.83 62.0 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.234 0.924 . . . . 0.0 110.816 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.24 -47.35 85.69 Favored 'General case' 0 C--O 1.231 0.114 0 O-C-N 122.652 -0.322 . . . . 0.0 111.476 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.76 -48.96 79.6 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.524 0.73 . . . . 0.0 110.848 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.39 -41.9 93.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.18 0.445 . . . . 0.0 110.182 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.63 -46.6 84.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.026 0.375 . . . . 0.0 110.588 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.21 -44.72 87.38 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.01 0.524 . . . . 0.0 109.877 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.67 -33.3 71.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.413 0.551 . . . . 0.0 111.968 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.18 -22.35 45.09 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -100.44 -46.87 5.09 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.956 0.502 . . . . 0.0 112.336 -169.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.66 131.18 45.1 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -78.2 24.09 0.26 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.4 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 23.6 p90 -52.44 155.73 3.49 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.28 1.032 . . . . 0.0 113.434 -169.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.53 141.85 17.82 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.562 0.879 . . . . 0.0 113.158 -9.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.57 153.73 42.11 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.3 ttt -84.79 145.44 27.88 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.6 -0.688 . . . . 0.0 109.367 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.77 172.88 34.47 Favored Glycine 0 N--CA 1.45 -0.419 0 O-C-N 121.463 -0.773 . . . . 0.0 112.04 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -102.48 124.51 48.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 169.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -81.48 106.69 13.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 169.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -93.14 64.34 3.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 N--CA 1.46 0.073 0 C-N-CA 123.984 0.914 . . . . 0.0 109.018 -176.048 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -136.5 139.78 42.54 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -112.16 132.02 55.13 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.731 0.413 . . . . 0.0 109.966 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.8 120.24 14.94 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -75.97 131.77 39.79 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.0 156.99 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 122.323 1.058 . . . . 0.0 111.023 -171.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -101.97 115.67 31.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.401 -2.815 . . . . 0.0 103.401 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -75.54 134.67 28.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 169.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -99.59 -19.38 16.88 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.35 0.66 . . . . 0.0 111.225 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.27 175.55 35.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -64.29 149.91 47.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.53 164.57 14.86 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.779 0.832 . . . . 0.0 110.764 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.92 151.87 68.48 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.132 1.888 . . . . 0.0 110.999 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.5 -28.29 59.45 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -169.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.18 -35.82 80.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.89 0.768 . . . . 0.0 111.241 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.78 -38.91 57.87 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.64 5.59 1.81 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.6 mt -91.57 -9.16 45.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.346 1.458 . . . . 0.0 111.322 169.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -115.37 -40.6 3.4 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.931 0.893 . . . . 0.0 111.133 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -158.69 173.52 16.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.703 2.401 . . . . 0.0 104.562 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.2 mmt -83.04 136.51 34.47 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 169.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.26 156.24 47.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.688 0.795 . . . . 0.0 109.768 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.7 142.21 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.406 1.482 . . . . 0.0 107.793 -176.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.6 135.19 38.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.99 148.04 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 123.262 0.625 . . . . 0.0 110.389 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.6 132.64 54.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.052 1.341 . . . . 0.0 107.807 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -81.36 89.55 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.44 1.096 . . . . 0.0 110.547 -172.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.9 mt . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.592 1.557 . . . . 0.0 109.795 179.64 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.707 0.765 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -138.58 -173.14 3.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.736 2.415 . . . . 0.0 107.751 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 m -129.45 139.29 51.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.24 152.34 48.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.596 1.558 . . . . 0.0 108.053 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.61 135.82 48.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.03 -28.11 69.36 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.2 m -63.31 -9.45 11.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.183 1.793 . . . . 0.0 113.469 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.17 11.69 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.429 1.492 . . . . 0.0 109.416 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -113.09 147.71 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 120.643 -1.286 . . . . 0.0 108.856 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -129.88 112.5 13.62 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.23 50.7 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.9 mt -115.83 132.26 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.35 39.96 9.88 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.019 1.727 . . . . 0.0 113.079 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.2 p -95.47 165.51 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.56 0.744 . . . . 0.0 110.383 -173.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.66 159.21 25.4 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 122.529 1.157 . . . . 0.0 110.929 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.9 -43.28 81.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.185 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -76.36 -30.97 57.79 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.682 0.674 . . . . 0.0 110.78 -174.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.8 m -66.45 -48.94 68.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -63.72 -39.19 93.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.051 -0.5 . . . . 0.0 111.039 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.36 -42.85 92.36 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 118.585 -0.722 . . . . 0.0 110.835 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.93 96.78 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.28 0.946 . . . . 0.0 111.249 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.77 -53.01 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.79 82.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.395 0.278 . . . . 0.0 110.725 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.97 -38.22 87.99 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.738 0.815 . . . . 0.0 112.038 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -63.42 -42.58 98.72 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.494 0.318 . . . . 0.0 110.193 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.11 -30.24 70.71 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.056 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -65.08 -47.71 76.29 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 120.037 1.29 . . . . 0.0 110.049 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -60.16 -40.02 88.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.227 0.611 . . . . 0.0 110.868 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.53 -51.5 67.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.565 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -25.53 67.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.755 0.822 . . . . 0.0 112.014 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 C-N-CA 124.018 0.927 . . . . 0.0 113.227 174.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.48 -41.88 92.84 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.199 0.6 . . . . 0.0 111.999 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 p -90.83 2.49 56.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -145.15 -64.21 0.34 Allowed 'General case' 0 C--N 1.338 0.094 0 CA-C-N 118.67 0.668 . . . . 0.0 111.617 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.03 -41.3 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.37 0.532 . . . . 0.0 111.749 -169.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 pt -124.48 15.31 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 118.893 0.769 . . . . 0.0 112.426 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.59 -34.47 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.548 -0.72 . . . . 0.0 112.42 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -87.0 -11.88 49.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.04 0.936 . . . . 0.0 112.155 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.1 171.75 14.54 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.827 0.851 . . . . 0.0 111.7 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -140.35 -46.0 0.42 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.57 172.53 12.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.596 1.159 . . . . 0.0 109.387 -173.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -48.91 -41.28 33.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.322 1.449 . . . . 0.0 114.489 -169.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.39 -43.6 73.18 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.98 -35.75 77.08 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.003 0.521 . . . . 0.0 110.115 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -69.57 -42.32 74.68 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 121.639 -0.663 . . . . 0.0 109.663 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.53 91.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.152 0.433 . . . . 0.0 110.326 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -66.99 -36.55 82.42 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.598 0.636 . . . . 0.0 112.184 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.52 -53.08 47.81 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 173.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -54.42 -48.7 71.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.006 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.08 -53.71 55.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.065 0.546 . . . . 0.0 111.199 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -74.62 -32.6 62.37 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 112.044 -169.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -68.77 -40.22 79.83 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 119.503 1.047 . . . . 0.0 110.65 173.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.3 -42.14 96.52 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.274 175.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.46 -33.33 71.16 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.858 0.754 . . . . 0.0 111.791 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.74 -21.83 44.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.287 0.635 . . . . 0.0 112.686 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.4 m -100.84 -45.97 5.28 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.298 0.639 . . . . 0.0 112.627 -169.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.07 127.19 32.23 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -169.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -83.54 44.1 0.95 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.189 1.395 . . . . 0.0 110.467 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -63.21 156.39 69.1 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.09 -1.006 . . . . 0.0 110.245 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.81 142.93 58.25 Favored 'Cis proline' 0 C--N 1.348 0.535 0 CA-C-N 119.805 0.966 . . . . 0.0 111.03 -6.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -145.66 164.89 30.35 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.8 ttt -92.69 146.05 23.95 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.399 -0.813 . . . . 0.0 109.01 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.38 172.28 34.16 Favored Glycine 0 C--N 1.333 0.366 0 O-C-N 121.416 -0.802 . . . . 0.0 112.148 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -99.6 124.79 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -82.84 103.49 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -86.91 61.79 7.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.319 1.848 . . . . 0.0 107.044 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--O 1.231 0.114 0 C-N-CA 124.83 1.252 . . . . 0.0 109.585 -173.546 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.9 mm . . . . . 0 CA--C 1.534 0.354 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -137.46 150.35 47.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -122.34 129.45 52.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.657 0.662 . . . . 0.0 110.001 -169.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -129.86 144.36 51.27 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 169.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.1 m -90.61 126.29 35.91 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 m -137.44 159.6 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.836 0.827 . . . . 0.0 109.619 -169.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.56 120.25 41.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -81.16 137.67 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.81 -23.69 16.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.841 0.457 . . . . 0.0 110.988 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.5 169.99 24.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.762 -1.735 . . . . 0.0 108.762 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.8 mtp -65.83 149.42 50.21 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 169.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.43 167.01 14.13 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 123.417 0.687 . . . . 0.0 109.875 171.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.44 146.78 31.65 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.785 2.323 . . . . 0.0 112.522 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -58.95 -27.1 65.01 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.623 0.769 . . . . 0.0 111.917 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.0 -23.14 63.41 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 0.0 113.216 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.3 -5.38 12.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.707 0.803 . . . . 0.0 112.002 177.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -92.62 24.4 3.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.365 0.666 . . . . 0.0 112.097 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 mt -83.6 -3.73 57.96 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.063 0.945 . . . . 0.0 112.346 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -132.33 -24.27 2.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.968 0.907 . . . . 0.0 112.695 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -162.18 149.39 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -174.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.02 146.63 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.318 0.963 . . . . 0.0 109.191 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -138.36 158.41 44.33 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.712 0.805 . . . . 0.0 110.603 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.19 141.9 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.902 1.681 . . . . 0.0 107.929 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.64 136.83 36.92 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 169.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.75 150.36 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.179 0.591 . . . . 0.0 109.524 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.08 130.44 55.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -86.21 90.6 8.2 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.267 0.627 . . . . 0.0 110.597 -169.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.7 mt . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 124.228 1.011 . . . . 0.0 108.926 176.145 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.236 0.357 0 CA-C-O 122.021 0.915 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -142.02 179.84 6.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 127.219 2.208 . . . . 0.0 107.477 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 m -129.68 139.62 51.33 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.32 152.11 50.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.423 1.489 . . . . 0.0 107.439 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 142.82 45.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 169.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.63 -29.26 66.39 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 170.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.0 m -60.24 -14.09 15.99 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.716 1.606 . . . . 0.0 113.96 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -116.99 12.47 14.61 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.682 1.193 . . . . 0.0 109.764 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.95 144.74 20.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 O-C-N 120.403 -1.436 . . . . 0.0 108.721 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -131.37 109.94 10.7 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 172.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.28 149.76 49.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.241 0.543 . . . . 0.0 110.206 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.7 mt -118.43 132.75 67.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.73 39.27 9.97 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.024 1.729 . . . . 0.0 113.236 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -95.59 171.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.605 0.762 . . . . 0.0 110.221 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 158.9 27.12 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 122.438 1.113 . . . . 0.0 110.968 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.43 -42.32 87.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.338 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.11 -27.77 54.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.469 0.577 . . . . 0.0 110.705 -175.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.2 m -68.64 -47.06 67.55 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 172.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -46.45 88.6 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.32 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.86 98.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.859 0.754 . . . . 0.0 111.414 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.44 -49.07 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.44 83.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.448 0.567 . . . . 0.0 110.127 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.64 -41.56 90.79 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.886 0.875 . . . . 0.0 111.751 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -69.2 -42.74 75.39 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.994 0.518 . . . . 0.0 110.57 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.41 -30.86 71.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.974 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.22 -50.64 67.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 119.474 1.034 . . . . 0.0 109.639 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -58.22 -39.1 78.18 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.09 0.859 . . . . 0.0 111.151 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.44 -55.56 32.02 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.253 -0.904 . . . . 0.0 110.198 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.2 66.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.832 0.853 . . . . 0.0 112.481 -177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.32 1.048 . . . . 0.0 110.924 175.15 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 mt . . . . . 0 C--O 1.234 0.272 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.45 -36.43 80.37 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.487 0.715 . . . . 0.0 112.049 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 p -101.96 -12.7 18.0 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -169.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -133.76 -14.22 2.48 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -172.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.03 -47.49 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.822 1.192 . . . . 0.0 109.914 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 pt -116.64 14.41 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.62 0.768 . . . . 0.0 111.701 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.31 -34.98 34.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.278 1.031 . . . . 0.0 112.046 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.76 -10.25 51.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.956 0.902 . . . . 0.0 112.101 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.02 10.71 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.704 0.802 . . . . 0.0 111.525 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -148.46 -43.91 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.104 0.962 . . . . 0.0 109.776 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -129.25 169.72 14.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.751 1.22 . . . . 0.0 108.725 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -51.78 -39.21 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.994 1.718 . . . . 0.0 114.619 -169.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.42 -42.41 83.26 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -69.2 -33.55 73.51 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.149 0.58 . . . . 0.0 110.331 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -68.04 -42.82 79.97 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.58 -0.7 . . . . 0.0 109.355 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.85 95.23 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.588 0.355 . . . . 0.0 110.57 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.8 mmt -64.99 -39.21 93.13 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.594 0.634 . . . . 0.0 112.209 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -49.91 68.94 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -57.95 -49.1 77.94 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.429 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.58 -52.93 63.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.521 0.329 . . . . 0.0 110.743 -174.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.79 -31.04 64.57 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.909 -0.567 . . . . 0.0 111.583 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -63.65 -46.31 86.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.175 0.898 . . . . 0.0 110.238 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.48 -42.95 86.7 Favored 'General case' 0 N--CA 1.458 -0.059 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.669 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.72 -35.23 75.81 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.566 0.621 . . . . 0.0 111.565 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.39 -24.58 57.22 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -98.25 -46.57 5.77 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -169.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -67.26 128.58 36.91 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.801 0.84 . . . . 0.0 110.056 -169.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -78.81 20.8 0.44 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.254 1.422 . . . . 0.0 114.248 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.413 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 20.2 p90 -53.49 153.31 7.66 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -169.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.73 147.54 46.24 Favored 'Cis proline' 0 C--N 1.352 0.746 0 CA-C-N 119.445 0.838 . . . . 0.0 113.768 -7.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -149.75 164.01 36.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.524 1.13 . . . . 0.0 109.324 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -90.95 145.97 24.27 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.936 -1.103 . . . . 0.0 109.865 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.22 168.78 33.13 Favored Glycine 0 C--N 1.335 0.526 0 O-C-N 121.097 -1.002 . . . . 0.0 111.472 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -97.62 125.75 42.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.247 -1.761 . . . . 0.0 106.247 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -84.65 103.02 13.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 169.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -84.81 65.93 9.39 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.481 1.512 . . . . 0.0 107.228 171.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt . . . . . 0 CA--C 1.527 0.091 0 C-N-CA 123.665 0.786 . . . . 0.0 109.375 -176.274 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.7 mm . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.86 151.3 50.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 169.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -121.99 121.85 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.898 -0.501 . . . . 0.0 110.141 -169.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -122.79 142.57 50.59 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -96.49 122.86 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.9 m -136.82 157.23 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 122.228 1.013 . . . . 0.0 111.139 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -103.18 116.81 33.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.22 113.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 171.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.08 -31.93 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.958 0.503 . . . . 0.0 110.786 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.413 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 169.56 176.89 39.73 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.146 -1.581 . . . . 0.0 109.146 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mtp -64.63 149.82 48.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 170.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.22 166.96 11.22 Favored Pre-proline 0 CA--C 1.543 0.674 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 147.29 14.53 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.424 2.083 . . . . 0.0 111.98 171.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.29 -30.62 64.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.039 0.536 . . . . 0.0 111.266 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.18 -26.58 68.22 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.054 0.942 . . . . 0.0 112.691 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -79.0 -33.41 44.99 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.8 -0.563 . . . . 0.0 109.921 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.64 28.1 0.49 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.716 1.206 . . . . 0.0 113.511 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.93 -16.51 40.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.111 0.965 . . . . 0.0 113.238 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -132.65 -21.01 2.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -154.71 170.97 20.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.1 mmt -93.52 139.93 30.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.43 156.98 47.61 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.019 0.527 . . . . 0.0 109.816 -175.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.82 140.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.872 1.269 . . . . 0.0 108.487 -173.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.27 133.38 36.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.38 147.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.38 123.49 44.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -75.99 109.35 9.56 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 124.736 1.214 . . . . 0.0 109.911 -173.502 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 CA--C 1.535 0.39 0 CA-C-O 121.651 0.739 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.89 -178.08 4.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.971 2.509 . . . . 0.0 107.866 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -127.8 138.89 52.88 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.83 159.47 35.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 108.316 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 140.51 39.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 169.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.83 -28.79 70.1 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 168.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.9 m -61.63 -7.28 3.18 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.124 1.769 . . . . 0.0 113.711 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.21 9.03 10.36 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.016 1.326 . . . . 0.0 109.736 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.84 147.22 17.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 O-C-N 120.532 -1.355 . . . . 0.0 109.283 -173.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.81 107.84 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 153.31 44.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.421 0.629 . . . . 0.0 110.686 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.6 mt -122.43 131.81 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.306 1.442 . . . . 0.0 107.122 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.6 t70 51.11 36.84 16.52 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.832 1.653 . . . . 0.0 113.984 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.8 m -89.17 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 121.565 -0.709 . . . . 0.0 110.389 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.57 164.74 24.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.182 0.991 . . . . 0.0 110.01 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.08 -35.42 73.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.844 1.258 . . . . 0.0 111.145 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.36 -41.97 69.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.214 0.915 . . . . 0.0 111.022 -174.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.9 m -64.04 -47.66 79.34 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -63.0 -37.16 86.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.228 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.92 -41.99 81.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.826 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.9 86.54 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.269 0.941 . . . . 0.0 110.658 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.44 -53.32 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.655 0.782 . . . . 0.0 109.281 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.39 86.13 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.669 0.387 . . . . 0.0 110.55 -175.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.14 -38.43 76.54 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.168 1.387 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -67.83 -42.05 82.05 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.069 0.548 . . . . 0.0 110.9 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.12 -32.38 73.47 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.565 -0.709 . . . . 0.0 111.193 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -67.29 -40.9 86.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.368 0.985 . . . . 0.0 110.179 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -37.51 84.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 120.05 1.295 . . . . 0.0 111.957 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.7 tp -59.73 -47.05 87.22 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.555 0.742 . . . . 0.0 109.339 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 172.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.529 0 C-N-CA 125.104 1.362 . . . . 0.0 111.185 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 CA--C 1.535 0.368 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.28 -41.13 96.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.932 -175.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.0 p -99.28 -9.58 23.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.514 1.052 . . . . 0.0 113.613 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -126.17 -18.84 4.88 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.549 1.068 . . . . 0.0 113.021 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -114.73 -46.94 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.836 1.198 . . . . 0.0 109.861 -172.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -122.21 15.47 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.308 0.643 . . . . 0.0 112.462 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.06 -36.47 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 124.691 1.196 . . . . 0.0 113.043 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.03 -7.94 47.38 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.716 0.807 . . . . 0.0 111.811 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.06 161.16 29.11 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.652 -0.655 . . . . 0.0 111.813 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.42 -24.27 0.24 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.124 0.97 . . . . 0.0 112.383 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -149.73 175.64 11.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.751 1.22 . . . . 0.0 108.877 -174.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -56.02 -38.57 70.69 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.52 1.128 . . . . 0.0 113.385 -172.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.84 -44.36 70.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.37 -37.64 77.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.134 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -39.48 76.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.772 1.169 . . . . 0.0 109.549 -178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.37 86.38 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 119.29 -0.386 . . . . 0.0 110.823 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -62.35 -37.13 84.46 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.658 0.663 . . . . 0.0 111.362 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.94 60.11 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 118.996 0.816 . . . . 0.0 111.394 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -56.11 -50.87 69.85 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.433 0.617 . . . . 0.0 109.869 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.59 -49.71 72.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.781 1.232 . . . . 0.0 110.954 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.9 -41.33 95.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.158 0.435 . . . . 0.0 110.118 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -65.08 -45.8 83.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.108 0.413 . . . . 0.0 110.444 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.35 -46.04 81.79 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 122.985 0.514 . . . . 0.0 109.734 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.68 -34.56 73.02 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.131 0.572 . . . . 0.0 111.954 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.41 -24.33 54.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.164 0.585 . . . . 0.0 112.406 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -96.53 -46.35 6.38 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.892 0.477 . . . . 0.0 111.481 -170.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.91 121.52 15.69 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -171.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -84.78 53.43 2.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.725 0.81 . . . . 0.0 109.813 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -64.78 159.82 59.39 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.34 0.656 . . . . 0.0 111.698 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.92 142.26 25.79 Favored 'Cis proline' 0 C--N 1.351 0.704 0 CA-C-N 119.615 0.898 . . . . 0.0 112.348 -10.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -146.43 161.71 39.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.845 0.858 . . . . 0.0 109.305 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.5 ttt -95.44 146.91 24.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.093 -1.005 . . . . 0.0 110.551 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.52 170.35 34.02 Favored Glycine 0 C--N 1.335 0.477 0 O-C-N 121.451 -0.781 . . . . 0.0 111.46 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -99.47 126.66 45.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.93 103.39 11.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.86 62.79 2.69 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 CA--C 1.524 -0.048 0 C-N-CA 124.455 1.102 . . . . 0.0 109.07 -173.325 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.97 150.94 51.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.91 134.5 52.65 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.691 -0.631 . . . . 0.0 111.161 -168.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -140.91 139.6 34.37 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 169.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -91.97 129.99 37.81 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -142.39 154.67 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 122.418 1.104 . . . . 0.0 111.367 -169.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -98.92 118.61 36.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 168.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.82 115.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.43 -29.34 41.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.157 0.583 . . . . 0.0 110.682 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.17 179.25 39.49 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.2 148.39 48.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.34 164.04 47.16 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 123.209 0.604 . . . . 0.0 110.626 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -51.27 152.82 10.7 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.362 2.708 . . . . 0.0 113.088 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.7 -30.63 56.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.312 1.045 . . . . 0.0 112.686 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.1 -32.25 72.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.485 0.714 . . . . 0.0 112.116 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.06 -41.01 13.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.5 m -70.01 9.03 0.61 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.8 mt -92.54 -14.85 27.75 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.599 1.56 . . . . 0.0 111.209 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -106.43 -42.29 5.06 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 111.096 -168.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -158.12 176.31 12.66 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 128.302 2.641 . . . . 0.0 104.157 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.6 mmt -84.99 135.11 34.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 120.172 1.351 . . . . 0.0 108.384 169.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -137.04 157.25 47.13 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.204 1.002 . . . . 0.0 109.314 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.32 142.17 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 125.403 1.481 . . . . 0.0 107.927 -175.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.56 131.34 35.51 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 169.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -137.72 147.93 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 122.833 0.453 . . . . 0.0 110.025 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.51 138.04 51.14 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.215 1.006 . . . . 0.0 108.7 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.04 121.59 19.44 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.527 0.731 . . . . 0.0 111.685 -173.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.654 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 121.211 0.529 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -120.41 -179.38 3.95 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.979 2.112 . . . . 0.0 109.399 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.5 m -126.54 133.53 51.09 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.59 154.98 43.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.341 1.457 . . . . 0.0 107.891 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -72.14 134.93 46.02 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.31 -27.71 69.23 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -66.1 -0.25 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.895 2.078 . . . . 0.0 113.442 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.74 10.1 5.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.871 1.668 . . . . 0.0 109.71 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -115.84 149.94 17.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.498 -1.376 . . . . 0.0 108.758 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -137.29 119.65 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.09 148.84 41.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.724 0.41 . . . . 0.0 110.64 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.4 mt -120.76 128.21 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.978 1.311 . . . . 0.0 108.138 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.51 34.24 9.14 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.002 1.721 . . . . 0.0 113.741 171.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.63 174.82 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.44 0.696 . . . . 0.0 111.23 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.86 161.98 22.7 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.516 0.674 . . . . 0.0 109.856 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.28 -39.11 89.22 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.733 1.213 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -72.76 -35.78 67.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.751 0.705 . . . . 0.0 110.438 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -67.71 -45.1 76.07 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -43.8 94.0 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.948 0.794 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.16 -37.82 81.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.288 0.635 . . . . 0.0 111.616 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.9 96.86 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.58 0.627 . . . . 0.0 111.363 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.88 -50.49 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.1 82.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.786 0.434 . . . . 0.0 109.906 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.25 -39.13 91.87 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.205 0.602 . . . . 0.0 111.547 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -66.32 -42.77 87.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.69 -33.9 77.03 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.474 -0.775 . . . . 0.0 110.787 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.65 -49.51 74.89 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 119.495 1.043 . . . . 0.0 109.618 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -63.14 -37.08 85.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.672 0.669 . . . . 0.0 111.177 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.42 -51.35 67.9 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.421 -0.8 . . . . 0.0 109.78 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.0 67.81 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.61 0.764 . . . . 0.0 112.31 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? . . . . . 0 N--CA 1.468 0.434 0 C-N-CA 124.714 1.206 . . . . 0.0 110.902 175.359 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.37 -35.84 81.36 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.1 p -106.45 1.22 25.39 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -141.46 -45.17 0.37 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.842 0.746 . . . . 0.0 111.942 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.29 -45.38 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 119.108 0.867 . . . . 0.0 110.071 -170.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -122.37 13.6 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.736 0.814 . . . . 0.0 112.248 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -53.95 -35.19 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.098 0.959 . . . . 0.0 112.714 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.74 -11.79 52.71 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.881 0.872 . . . . 0.0 112.291 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.44 176.84 9.42 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.872 0.869 . . . . 0.0 111.883 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.41 -43.11 0.17 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.065 0.946 . . . . 0.0 110.367 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.94 168.64 18.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.948 1.299 . . . . 0.0 108.284 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -48.54 -38.95 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.562 1.945 . . . . 0.0 114.687 -169.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.64 -42.71 77.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.588 0.631 . . . . 0.0 109.431 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -69.35 -34.61 74.85 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.463 0.705 . . . . 0.0 110.103 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -68.35 -42.43 79.26 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.63 -0.669 . . . . 0.0 109.4 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.55 85.6 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.257 0.48 . . . . 0.0 110.293 172.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.3 mmt -63.77 -38.02 89.52 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.068 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.56 57.16 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.303 0.956 . . . . 0.0 111.027 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -57.34 -47.3 81.94 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.875 0.47 . . . . 0.0 111.113 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.25 -48.2 82.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.683 0.793 . . . . 0.0 110.799 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -66.07 -42.61 89.17 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.727 0.694 . . . . 0.0 110.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.45 -46.86 86.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.669 0.387 . . . . 0.0 110.472 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.2 -44.21 84.59 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-O 118.673 -0.679 . . . . 0.0 109.909 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.65 -33.26 72.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.075 0.852 . . . . 0.0 111.732 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.15 -24.24 51.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.135 0.574 . . . . 0.0 112.153 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.9 m -98.15 -45.5 6.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.985 0.514 . . . . 0.0 111.922 -170.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.93 125.4 26.51 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.072 0.949 . . . . 0.0 108.966 -169.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -83.63 61.16 6.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.092 1.357 . . . . 0.0 110.303 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -64.27 156.74 74.5 Favored Pre-proline 0 CA--C 1.542 0.635 0 O-C-N 121.531 -0.731 . . . . 0.0 112.212 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.54 151.26 96.32 Favored 'Cis proline' 0 C--N 1.348 0.521 0 N-CA-C 108.812 -1.265 . . . . 0.0 108.812 -10.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -141.97 162.05 36.44 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.305 0.502 . . . . 0.0 111.052 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -90.02 144.83 25.56 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.94 32.93 Favored Glycine 0 N--CA 1.447 -0.569 0 O-C-N 121.481 -0.762 . . . . 0.0 111.198 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -98.23 124.33 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -83.76 102.35 12.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -94.99 68.24 3.17 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 C--O 1.233 0.184 0 C-N-CA 125.492 1.517 . . . . 0.0 108.902 -175.784 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm . . . . . 0 C--O 1.235 0.296 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -125.31 152.18 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.13 148.93 50.61 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.962 1.255 . . . . 0.0 112.394 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -139.38 148.66 43.15 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 170.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.7 m -100.55 125.61 46.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.82 158.64 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.249 1.023 . . . . 0.0 112.071 -168.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.8 118.21 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 169.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.92 137.63 20.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -98.32 -22.72 15.96 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.887 0.475 . . . . 0.0 111.43 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.95 174.24 26.41 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 -172.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.6 mtp -65.49 153.45 41.38 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.298 0.57 . . . . 0.0 110.009 169.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.63 169.29 5.33 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.302 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -51.98 155.52 8.47 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.017 2.478 . . . . 0.0 112.962 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.85 -32.67 66.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.591 0.756 . . . . 0.0 111.763 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.48 -26.77 66.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.046 0.538 . . . . 0.0 112.145 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -80.6 -40.4 25.79 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.13 10.07 2.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.876 -172.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -18.6 54.75 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.998 2.119 . . . . 0.0 111.478 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -130.9 -27.53 2.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.623 0.769 . . . . 0.0 113.024 -170.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -154.83 169.44 23.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -86.83 136.86 32.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.395 1.452 . . . . 0.0 108.271 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -138.28 157.73 45.69 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.96 141.99 28.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.301 1.44 . . . . 0.0 108.633 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.88 135.52 35.93 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 170.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.75 148.88 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.236 0.615 . . . . 0.0 109.844 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.71 132.51 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 124.949 1.299 . . . . 0.0 107.637 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.1 115.61 12.64 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.843 0.457 . . . . 0.0 110.553 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.703 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -129.01 -178.97 4.85 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.726 2.41 . . . . 0.0 108.492 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 m -125.69 136.56 53.34 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 169.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.56 156.49 39.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.713 1.605 . . . . 0.0 107.981 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 139.54 45.13 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 169.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -28.94 69.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -61.27 -9.62 5.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.871 2.468 . . . . 0.0 113.856 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -122.87 10.07 9.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.551 1.54 . . . . 0.0 109.537 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.81 145.77 18.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 O-C-N 120.762 -1.211 . . . . 0.0 108.313 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -133.48 108.87 8.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.86 150.46 47.76 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.254 0.549 . . . . 0.0 110.343 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.2 mt -119.29 132.93 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.37 41.17 12.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.984 1.714 . . . . 0.0 113.098 174.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.02 171.26 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.663 0.785 . . . . 0.0 110.48 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 159.53 26.5 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 122.049 0.928 . . . . 0.0 110.861 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.495 1.118 . . . . 0.0 110.88 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -73.69 -28.84 61.95 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.538 0.608 . . . . 0.0 110.62 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.5 m -70.9 -47.09 61.06 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -43.61 98.55 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.48 -46.02 89.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.16 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.02 91.0 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.983 0.81 . . . . 0.0 111.473 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.68 -50.78 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 122.921 0.488 . . . . 0.0 109.731 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.14 82.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.608 0.64 . . . . 0.0 110.511 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.467 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 17.3 t70 -64.77 -43.2 94.03 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.717 0.807 . . . . 0.0 111.144 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -63.96 -36.37 83.73 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.09 -0.381 . . . . 0.0 111.189 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 50.4 mt -71.4 -40.46 70.51 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.139 -0.976 . . . . 0.0 111.697 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 1.1 p90 -70.64 -29.84 66.31 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.251 1.387 . . . . 0.0 110.379 173.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -65.15 -35.88 82.49 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.369 -0.832 . . . . 0.0 109.769 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.19 -48.79 77.87 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.629 -0.669 . . . . 0.0 109.585 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.13 -25.1 67.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 112.984 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.371 0 C-N-CA 125.225 1.41 . . . . 0.0 113.964 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.8 mt . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.88 -41.46 82.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.609 0.764 . . . . 0.0 111.77 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.6 p -93.17 -14.27 27.36 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -171.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -129.94 -13.07 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.11 -39.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 119.579 1.081 . . . . 0.0 109.981 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -126.39 14.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.51 -31.78 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.192 0.997 . . . . 0.0 112.485 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.09 11.27 34.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.582 1.153 . . . . 0.0 111.472 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.49 152.82 51.71 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 124.623 1.169 . . . . 0.0 110.006 -169.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.45 -37.66 0.23 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.642 0.777 . . . . 0.0 111.135 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.06 163.29 24.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -64.86 -34.93 79.54 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.179 -0.95 . . . . 0.0 111.439 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.45 -43.99 79.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -66.04 -45.56 80.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.95 0.5 . . . . 0.0 109.659 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -68.43 -34.65 76.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.15 -176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.76 96.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.841 0.746 . . . . 0.0 110.33 169.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.6 mmt -67.09 -33.73 76.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.674 -0.641 . . . . 0.0 112.474 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.97 -50.29 67.27 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -57.85 -48.36 80.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.183 171.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.01 -54.21 49.46 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.083 0.401 . . . . 0.0 111.406 -173.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -73.87 -29.12 61.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.11 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -63.33 -46.48 86.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.186 0.903 . . . . 0.0 110.139 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.0 -46.51 84.2 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.469 0.708 . . . . 0.0 109.759 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.37 -33.93 71.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.372 0.533 . . . . 0.0 111.978 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.85 -23.01 49.05 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.191 0.596 . . . . 0.0 112.529 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -98.98 -44.98 6.12 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.202 0.601 . . . . 0.0 111.855 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.71 123.59 20.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.403 1.081 . . . . 0.0 109.989 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.08 46.39 1.01 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.423 1.489 . . . . 0.0 110.457 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 26.6 p90 -64.19 157.92 67.39 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.094 -1.004 . . . . 0.0 110.967 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.81 147.88 77.36 Favored 'Cis proline' 0 C--N 1.35 0.611 0 CA-C-N 119.707 0.931 . . . . 0.0 110.974 -8.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -150.69 166.57 29.99 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.88 0.472 . . . . 0.0 109.834 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -88.96 145.93 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.476 -0.765 . . . . 0.0 109.689 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.64 169.85 31.75 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -99.02 124.33 43.93 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.62 102.62 11.57 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -92.18 64.21 4.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 126.309 1.844 . . . . 0.0 106.371 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -172.579 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm . . . . . 0 C--O 1.235 0.297 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -113.65 148.98 35.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 104.194 -2.521 . . . . 0.0 104.194 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -128.95 131.57 47.52 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.169 -0.957 . . . . 0.0 109.873 -170.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -131.45 146.38 52.23 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 m -97.79 125.83 42.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.28 156.28 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 122.02 0.914 . . . . 0.0 111.155 -169.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -105.47 116.23 31.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -73.26 143.45 13.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.56 -24.45 13.41 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.334 0.654 . . . . 0.0 110.757 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.67 176.59 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.84 148.8 42.12 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.07 168.97 7.78 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.0 147.08 27.43 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.037 1.824 . . . . 0.0 111.694 169.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -58.81 -31.22 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.961 0.504 . . . . 0.0 111.144 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -65.21 -26.79 68.29 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.86 0.864 . . . . 0.0 112.461 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -79.84 -26.32 40.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.883 -0.511 . . . . 0.0 110.493 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.0 m -95.58 28.48 2.97 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.044 0.938 . . . . 0.0 113.215 -169.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.35 -19.32 59.67 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 -176.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.4 -16.31 3.5 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -170.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -166.53 159.89 14.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.438 2.295 . . . . 0.0 104.853 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -92.18 144.42 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.362 0.983 . . . . 0.0 108.75 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -141.21 156.86 45.86 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.27 0.628 . . . . 0.0 110.753 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.48 142.96 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.897 1.679 . . . . 0.0 107.812 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.92 136.25 37.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.04 152.42 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 123.346 0.658 . . . . 0.0 109.919 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.34 141.06 51.54 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.641 1.177 . . . . 0.0 107.917 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -73.62 124.91 26.84 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.827 0.451 . . . . 0.0 110.778 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -139.51 179.88 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.386 1.874 . . . . 0.0 108.977 -169.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -127.79 135.32 49.93 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 170.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.83 49.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -72.26 137.28 46.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.26 -26.64 66.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.754 0.422 . . . . 0.0 109.933 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -59.74 -14.39 14.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.881 1.672 . . . . 0.0 113.601 172.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 14.17 9.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.261 1.424 . . . . 0.0 109.581 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.73 149.08 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 120.256 -1.527 . . . . 0.0 108.507 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -133.53 133.4 42.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 169.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.84 25.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.879 0.472 . . . . 0.0 110.311 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.51 132.51 70.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.805 1.242 . . . . 0.0 107.693 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.43 38.63 18.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.84 1.656 . . . . 0.0 113.833 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -92.54 175.27 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 123.997 0.919 . . . . 0.0 111.007 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.16 163.63 24.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 169.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.15 -38.69 89.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.428 1.091 . . . . 0.0 110.878 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.77 -32.7 67.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.659 0.663 . . . . 0.0 110.725 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 m -72.64 -46.64 53.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -59.4 -39.37 83.18 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 119.109 0.868 . . . . 0.0 110.598 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.76 -41.01 99.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.931 0.893 . . . . 0.0 111.153 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.78 94.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.309 0.959 . . . . 0.0 111.015 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.66 -53.57 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.82 92.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.246 0.475 . . . . 0.0 110.365 -170.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.46 -36.41 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.514 1.126 . . . . 0.0 111.519 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -65.85 -43.69 87.73 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.452 0.301 . . . . 0.0 110.674 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.84 -33.11 75.09 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.655 -0.653 . . . . 0.0 110.968 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.96 -43.19 83.75 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.245 0.93 . . . . 0.0 109.967 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.93 -40.59 93.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.061 1.3 . . . . 0.0 111.622 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.22 -50.72 72.55 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.608 0.763 . . . . 0.0 109.464 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.35 -22.27 66.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.015 0.526 . . . . 0.0 112.378 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.395 0 C-N-CA 124.213 1.005 . . . . 0.0 110.859 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 CA--C 1.535 0.386 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.78 -32.0 67.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.844 1.257 . . . . 0.0 112.033 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 p -106.61 -3.3 20.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.708 0.803 . . . . 0.0 113.096 -171.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -136.45 -22.43 1.3 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.1 -38.45 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.329 0.968 . . . . 0.0 110.308 -169.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.54 12.85 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.156 0.889 . . . . 0.0 112.151 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -56.33 -33.85 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.751 0.82 . . . . 0.0 111.969 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -86.67 -12.07 49.47 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.849 0.86 . . . . 0.0 112.138 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.73 161.77 28.23 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.604 -0.685 . . . . 0.0 111.837 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -149.77 -26.24 0.26 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.223 1.009 . . . . 0.0 112.196 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -147.05 170.75 16.5 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.086 1.355 . . . . 0.0 107.554 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -56.08 -29.37 60.47 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.522 1.529 . . . . 0.0 114.202 -171.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.62 -50.65 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -70.5 -32.14 69.52 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.602 -0.686 . . . . 0.0 111.085 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -57.61 8.96 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 124.832 1.253 . . . . 0.0 107.75 173.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.11 -29.16 61.7 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.961 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.7 mmt -64.18 -40.01 95.2 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 119.742 1.156 . . . . 0.0 110.896 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.9 -50.49 63.47 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.208 0.913 . . . . 0.0 110.957 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -57.8 -46.52 84.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.295 0.638 . . . . 0.0 111.023 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -67.02 -47.63 70.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.335 1.454 . . . . 0.0 110.431 -173.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -65.87 -39.45 90.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.064 0.847 . . . . 0.0 110.545 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.31 -52.18 66.66 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.465 0.706 . . . . 0.0 110.344 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.57 -44.8 77.35 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.911 -177.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.09 -33.25 71.83 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.212 0.605 . . . . 0.0 111.989 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.76 -25.17 48.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.4 m -97.46 -46.7 5.96 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.126 -0.359 . . . . 0.0 111.745 -169.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -66.23 121.27 14.84 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.37 1.068 . . . . 0.0 108.464 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.93 49.24 1.74 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.235 1.014 . . . . 0.0 109.92 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.4 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 23.9 p90 -64.25 163.38 25.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.583 0.753 . . . . 0.0 111.28 176.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.68 143.95 21.32 Favored 'Cis proline' 0 C--N 1.351 0.679 0 CA-C-N 120.067 1.06 . . . . 0.0 112.026 -10.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -145.43 158.23 43.87 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.438 0.563 . . . . 0.0 109.81 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 ttt -86.85 142.64 27.92 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.426 -0.796 . . . . 0.0 108.999 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.88 172.28 31.92 Favored Glycine 0 C--N 1.332 0.36 0 O-C-N 121.593 -0.692 . . . . 0.0 111.765 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.96 125.04 44.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -81.74 101.83 10.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -89.21 62.08 6.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.612 1.965 . . . . 0.0 107.154 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 tttt . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -173.897 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 mm . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.93 150.07 52.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -121.56 127.28 50.79 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.748 0.419 . . . . 0.0 110.139 -169.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -127.86 139.11 52.82 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 170.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -88.47 127.96 35.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 158.81 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 122.045 0.926 . . . . 0.0 110.905 -169.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.87 115.18 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 169.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -75.05 130.35 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.8 -24.77 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.52 -179.97 35.68 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.43 149.87 32.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.89 166.36 10.23 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.205 171.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.18 153.46 9.35 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.782 2.322 . . . . 0.0 112.455 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -56.33 -30.92 63.21 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 123.266 0.627 . . . . 0.0 111.489 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.99 -31.43 72.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.618 0.767 . . . . 0.0 111.867 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.79 -47.71 16.19 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 171.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.4 m -71.71 9.97 0.77 Allowed 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.0 mt -78.95 -28.75 43.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.679 1.191 . . . . 0.0 109.657 169.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -86.49 -50.55 6.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.567 0.747 . . . . 0.0 109.815 -172.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -166.52 169.99 13.23 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.212 1.805 . . . . 0.0 107.255 -169.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.48 131.89 35.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.211 1.369 . . . . 0.0 111.391 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -140.45 160.26 40.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.363 1.065 . . . . 0.0 110.726 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.14 143.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 125.987 1.715 . . . . 0.0 107.948 -177.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -81.81 135.25 35.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 169.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.36 146.09 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 123.117 0.567 . . . . 0.0 110.211 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.34 133.1 56.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 125.204 1.402 . . . . 0.0 107.465 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -83.37 90.94 7.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.711 0.804 . . . . 0.0 109.558 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 CA--C 1.537 0.458 0 C-N-CA 125.049 1.34 . . . . 0.0 109.009 179.148 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.5 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 121.717 0.77 . . . . 0.0 108.96 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -131.14 178.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.829 2.452 . . . . 0.0 107.959 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 m -126.26 137.15 53.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.62 153.58 47.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.363 1.465 . . . . 0.0 107.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -70.95 139.38 50.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 105.129 -2.175 . . . . 0.0 105.129 169.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.39 -28.62 67.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.553 0.615 . . . . 0.0 109.438 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 m -57.61 -24.97 59.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.751 2.02 . . . . 0.0 113.675 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -108.21 13.22 25.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.049 1.34 . . . . 0.0 109.574 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -118.06 148.4 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 O-C-N 120.527 -1.358 . . . . 0.0 108.262 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.62 133.46 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.1 156.61 29.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.628 0.728 . . . . 0.0 110.477 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.0 mt -122.74 130.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.86 38.09 11.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.086 1.754 . . . . 0.0 113.486 173.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -94.6 172.61 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.286 0.634 . . . . 0.0 111.029 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.57 156.68 39.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.576 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.79 -39.57 77.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.55 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -74.05 -38.02 64.11 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.112 0.869 . . . . 0.0 110.644 -173.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.9 m -59.11 -50.34 74.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.106 0.963 . . . . 0.0 109.449 170.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.52 -37.79 88.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.1 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.16 -42.34 93.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.927 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.644 1.111 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.5 mt -66.75 -51.44 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.063 0.545 . . . . 0.0 109.538 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.66 91.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.933 0.333 . . . . 0.0 110.235 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.06 -41.45 99.46 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.097 0.959 . . . . 0.0 111.952 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.32 -46.01 89.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.59 -35.6 81.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.995 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -61.3 -56.2 23.17 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.974 1.261 . . . . 0.0 109.338 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -60.97 -40.13 92.22 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.848 0.859 . . . . 0.0 110.664 -174.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.91 -49.28 76.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.289 0.636 . . . . 0.0 110.601 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.37 66.61 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.275 0.63 . . . . 0.0 112.376 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 . . . . . 0 N--CA 1.47 0.526 0 CA-C-N 119.171 0.896 . . . . 0.0 110.912 174.222 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.9 mtm . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.56 144.51 16.88 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.051 1.34 . . . . 0.0 108.098 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -75.99 21.45 0.17 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.493 1.517 . . . . 0.0 112.839 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 p -74.06 28.54 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 126.951 2.1 . . . . 0.0 112.79 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.82 71.19 0.21 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.138 2.175 . . . . 0.0 110.63 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -32.23 68.59 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.437 -0.79 . . . . 0.0 112.941 -176.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -179.22 149.07 0.4 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 129.487 3.115 . . . . 0.0 105.422 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.16 -14.94 63.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.708 0.803 . . . . 0.0 113.0 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -47.87 -46.61 31.54 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.999 1.319 . . . . 0.0 111.908 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -76.35 -36.4 58.23 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.755 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.88 -44.69 86.84 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.848 0.749 . . . . 0.0 109.481 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -62.04 -50.73 70.83 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.425 0.69 . . . . 0.0 109.557 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -59.37 -45.6 90.99 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.694 0.679 . . . . 0.0 111.18 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -54.51 -59.93 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.91 -34.99 76.3 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.1 p -106.68 -0.71 23.44 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -141.89 -45.91 0.35 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.814 0.734 . . . . 0.0 112.473 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.4 mt -78.06 -47.64 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.408 1.004 . . . . 0.0 109.993 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 pt -122.37 13.3 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.901 0.88 . . . . 0.0 112.001 -174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.79 -36.17 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.988 0.915 . . . . 0.0 112.553 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.38 -12.43 56.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.799 0.84 . . . . 0.0 112.171 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.28 173.13 12.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.566 0.747 . . . . 0.0 111.972 -173.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -149.54 -43.61 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.362 1.065 . . . . 0.0 109.672 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -131.29 171.41 13.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.624 1.17 . . . . 0.0 109.376 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -50.45 -40.29 50.23 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.151 1.38 . . . . 0.0 114.477 -169.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.59 -41.42 84.12 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.16 -32.77 67.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.856 -0.528 . . . . 0.0 110.359 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -67.59 -42.77 81.94 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.53 95.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 122.702 0.401 . . . . 0.0 110.248 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -63.66 -37.98 89.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.37 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.79 -51.8 56.94 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 119.457 1.026 . . . . 0.0 110.949 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -58.63 -46.61 86.71 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.241 174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -59.89 -47.79 84.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.117 0.567 . . . . 0.0 110.467 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -66.94 -41.06 87.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.748 0.703 . . . . 0.0 110.716 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.52 -48.67 79.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.441 0.564 . . . . 0.0 110.208 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -66.95 -43.34 83.43 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.057 0.543 . . . . 0.0 109.682 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.63 -34.87 74.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.439 0.696 . . . . 0.0 111.625 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -78.65 -22.17 47.25 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.7 m -101.5 -44.61 5.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -169.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -70.67 126.77 30.53 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.622 0.769 . . . . 0.0 109.724 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -85.12 43.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.327 1.451 . . . . 0.0 110.393 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -62.8 158.19 54.09 Favored Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 121.143 -0.973 . . . . 0.0 110.453 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.54 147.89 76.58 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 120.108 1.074 . . . . 0.0 111.229 -6.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -150.85 161.98 41.65 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.089 0.555 . . . . 0.0 109.768 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -82.18 146.6 29.46 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 169.47 32.11 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -100.7 121.81 42.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 169.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -83.79 101.09 11.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.67 69.87 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.366 1.467 . . . . 0.0 107.721 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -60.9 114.93 3.33 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 122.396 0.278 . . . . 0.0 110.431 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.47 131.59 51.24 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 169.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.1 m -148.86 172.2 15.05 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.56 0.695 . . . . 0.0 112.64 -169.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 61.61 8.8 2.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 127.414 2.285 . . . . 0.0 114.348 171.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 52.72 28.14 5.99 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.312 1.445 . . . . 0.0 112.167 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.5 p -131.63 16.14 4.86 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.513 1.525 . . . . 0.0 109.95 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m 53.57 37.21 25.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.984 1.314 . . . . 0.0 111.983 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.7 m -68.7 151.53 46.55 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 169.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.1 mm -117.76 101.59 12.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -85.78 87.9 7.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.09 151.65 47.22 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.418 0.628 . . . . 0.0 110.278 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -150.5 141.28 22.76 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 m -99.42 124.37 44.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -135.61 161.47 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 122.06 0.934 . . . . 0.0 111.276 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.26 113.33 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 169.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -73.93 143.34 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -103.4 -25.77 13.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.285 0.634 . . . . 0.0 110.517 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.75 173.63 29.58 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.0 152.41 43.47 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.43 165.81 8.32 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.89 157.75 7.45 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.039 2.493 . . . . 0.0 112.846 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.45 -30.34 62.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 112.249 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.54 -31.7 73.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.566 0.621 . . . . 0.0 111.764 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.28 -43.08 19.68 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.7 m -71.09 2.52 4.41 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -83.05 -16.27 47.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.384 1.473 . . . . 0.0 110.64 169.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -110.53 -37.84 5.37 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 124.121 0.969 . . . . 0.0 110.795 -169.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -164.53 170.83 15.34 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -80.33 127.64 32.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 120.388 1.449 . . . . 0.0 108.129 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -138.49 158.89 43.4 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.905 0.882 . . . . 0.0 110.141 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.16 142.59 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.414 1.486 . . . . 0.0 107.792 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -80.59 135.33 36.05 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.58 149.21 22.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 123.355 0.662 . . . . 0.0 109.944 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.21 125.77 53.76 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.97 99.4 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.074 0.55 . . . . 0.0 109.519 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -61.06 -26.92 40.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.2 1.0 . . . . 0.0 109.811 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.48 10.47 57.82 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.52 -1.155 . . . . 0.0 113.008 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.68 -19.78 0.06 OUTLIER Glycine 0 CA--C 1.528 0.886 0 CA-C-N 119.203 1.502 . . . . 0.0 115.167 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -140.77 -57.6 0.51 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 119.445 1.622 . . . . 0.0 110.041 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.6 t70 49.33 19.83 0.38 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.485 1.914 . . . . 0.0 113.521 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -156.96 7.98 0.18 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.285 1.434 . . . . 0.0 111.47 -171.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -151.24 164.93 35.47 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.628 1.571 . . . . 0.0 107.563 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.7 t -130.0 144.42 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.016 0.926 . . . . 0.0 109.756 -169.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -122.98 -176.81 3.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.079 2.552 . . . . 0.0 108.042 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.5 m -128.51 139.92 52.07 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.11 154.07 48.69 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.4 1.48 . . . . 0.0 108.506 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -70.95 137.59 49.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.27 -28.74 68.32 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 169.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -61.58 -15.05 35.3 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.889 1.675 . . . . 0.0 113.477 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.31 10.02 13.58 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.769 1.228 . . . . 0.0 109.371 -177.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -110.34 146.39 15.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 122.303 1.049 . . . . 0.0 108.696 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.62 106.54 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.82 150.82 46.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.07 132.39 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.63 39.16 20.84 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.839 1.656 . . . . 0.0 113.701 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.2 m -90.28 173.76 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.36 0.664 . . . . 0.0 110.902 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.85 163.39 25.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.621 0.725 . . . . 0.0 110.246 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.19 -38.67 80.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.021 1.328 . . . . 0.0 110.831 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -70.21 -34.57 73.07 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.99 0.814 . . . . 0.0 110.866 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.1 m -69.96 -47.79 60.91 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -38.79 84.72 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.17 -50.46 73.44 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.024 0.93 . . . . 0.0 111.461 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.45 86.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.887 0.312 . . . . 0.0 111.127 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.0 mt -66.3 -50.38 68.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.302 0.641 . . . . 0.0 109.649 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.68 -46.45 84.27 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.537 0.608 . . . . 0.0 110.168 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.43 -41.88 86.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.834 0.853 . . . . 0.0 110.724 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -66.28 -35.98 81.8 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.443 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.43 -30.78 70.61 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.114 -0.991 . . . . 0.0 111.602 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -66.04 -44.1 85.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.852 1.205 . . . . 0.0 110.15 170.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -61.11 -37.6 83.35 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.189 0.449 . . . . 0.0 111.512 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 69.7 tp -61.53 -49.29 77.29 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.1 78.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.069 0.548 . . . . 0.0 111.82 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -62.55 -16.97 58.87 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.796 1.239 . . . . 0.0 113.729 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.88 33.37 60.05 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 120.149 1.34 . . . . 0.0 111.455 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 62.13 171.16 0.13 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.069 2.548 . . . . 0.0 115.226 169.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -135.29 8.76 3.43 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.724 1.209 . . . . 0.0 111.64 169.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.722 1.209 . . . . 0.0 107.944 168.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.22 70.64 2.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.162 0.985 . . . . 0.0 108.972 169.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -74.67 21.04 0.11 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.97 1.708 . . . . 0.0 113.205 -174.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -54.29 -29.59 19.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 125.109 1.364 . . . . 0.0 111.668 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.25 158.06 43.92 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 169.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -49.43 -45.76 46.82 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 126.644 1.978 . . . . 0.0 114.4 -168.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.57 -170.03 0.87 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.323 1.449 . . . . 0.0 108.598 -174.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.69 7.34 0.89 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.805 2.042 . . . . 0.0 113.447 -176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -41.88 66.54 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 121.184 1.811 . . . . 0.0 110.615 171.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -58.55 -46.18 87.41 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.256 0.222 . . . . 0.0 110.503 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.8 -33.92 74.66 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.95 0.5 . . . . 0.0 110.134 -175.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -65.78 -42.32 90.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.05 0.387 . . . . 0.0 111.539 171.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -64.58 -43.05 95.08 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.073 -1.017 . . . . 0.0 110.456 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.66 -50.63 73.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.941 0.896 . . . . 0.0 108.675 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.36 -38.96 78.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.793 0.837 . . . . 0.0 111.891 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 p -93.13 -14.06 27.7 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -133.93 -12.69 2.54 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mt -121.32 -41.28 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.878 1.217 . . . . 0.0 109.991 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.44 15.96 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.74 . . . . 0.0 112.042 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.52 -31.48 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.778 0.831 . . . . 0.0 111.83 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.88 10.4 26.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.602 1.161 . . . . 0.0 111.801 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.11 161.98 32.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.878 1.271 . . . . 0.0 111.39 -169.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -150.13 -41.45 0.13 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.933 0.893 . . . . 0.0 110.415 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -81.98 164.28 21.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.955 0.798 . . . . 0.0 108.948 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -59.35 -39.23 82.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.787 0.835 . . . . 0.0 111.896 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.95 -42.55 73.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -66.53 -43.1 86.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -62.53 -41.67 99.02 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.31 96.31 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.988 0.358 . . . . 0.0 110.774 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -64.36 -37.04 86.12 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-O 118.482 -0.77 . . . . 0.0 111.701 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.15 -50.15 66.61 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-N 119.427 1.012 . . . . 0.0 110.676 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.45 -50.43 73.74 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.654 0.382 . . . . 0.0 111.521 173.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -61.57 -46.93 87.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.151 0.58 . . . . 0.0 110.46 -173.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -65.5 -43.05 91.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.095 0.558 . . . . 0.0 110.513 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -62.77 -46.95 85.63 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.272 0.487 . . . . 0.0 110.296 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.64 -43.59 79.98 Favored 'General case' 0 C--O 1.228 -0.048 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.46 -33.76 71.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.838 0.744 . . . . 0.0 111.998 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.15 -22.54 44.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.243 0.617 . . . . 0.0 112.517 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -100.21 -45.18 5.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -68.83 127.69 34.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.83 45.1 1.22 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.329 1.452 . . . . 0.0 110.289 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -63.07 156.91 65.53 Favored Pre-proline 0 CA--C 1.545 0.766 0 O-C-N 121.208 -0.933 . . . . 0.0 111.325 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -68.37 146.94 80.12 Favored 'Cis proline' 0 C--N 1.349 0.596 0 CA-C-N 119.414 0.826 . . . . 0.0 111.72 -4.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -148.21 165.29 31.38 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.098 0.959 . . . . 0.0 109.529 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -92.54 145.18 24.64 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.286 -0.883 . . . . 0.0 109.403 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.75 170.17 32.44 Favored Glycine 0 C--N 1.334 0.447 0 O-C-N 121.137 -0.977 . . . . 0.0 111.501 172.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -100.15 125.34 46.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -82.03 104.21 12.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.687 -2.338 . . . . 0.0 104.687 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -86.61 68.33 10.13 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.679 1.591 . . . . 0.0 106.927 171.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -61.14 123.34 17.41 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -67.13 164.69 17.48 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.961 0.8 . . . . 0.0 110.634 172.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 m 71.53 48.31 0.33 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.315 1.846 . . . . 0.0 113.953 169.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -56.58 -47.09 80.3 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 168.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -147.36 -46.14 0.17 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.773 0.829 . . . . 0.0 111.125 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -141.67 61.25 1.47 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.189 0.996 . . . . 0.0 108.607 -170.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m 58.5 13.58 2.58 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.296 1.438 . . . . 0.0 113.276 -170.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.27 152.73 41.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.588 1.955 . . . . 0.0 109.777 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.9 mm -82.85 142.13 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 121.264 -0.898 . . . . 0.0 109.216 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -117.61 151.57 36.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 169.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -128.06 126.97 42.27 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 -170.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -134.5 134.59 41.64 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.0 m -89.89 125.26 35.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.66 153.98 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.328 1.061 . . . . 0.0 111.367 -169.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.39 119.54 38.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.98 114.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.68 -35.57 44.98 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 122.55 0.34 . . . . 0.0 110.514 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.07 179.74 39.73 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.18 148.18 41.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.9 164.53 16.67 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 123.763 0.825 . . . . 0.0 109.335 169.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -60.13 157.21 35.68 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.654 1.569 . . . . 0.0 111.089 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -31.75 64.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.055 0.942 . . . . 0.0 112.268 -175.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.03 -27.61 68.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.079 0.951 . . . . 0.0 112.344 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.79 -36.26 37.34 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.6 m -80.76 34.37 0.34 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.857 1.263 . . . . 0.0 112.902 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.71 -21.73 21.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.226 1.01 . . . . 0.0 113.462 -174.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -137.29 -17.55 1.34 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.795 0.838 . . . . 0.0 113.105 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -154.76 165.08 37.74 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.0 mmt -93.7 140.9 29.1 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -136.2 157.08 47.67 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.128 0.571 . . . . 0.0 110.186 -174.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.88 143.22 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.544 1.538 . . . . 0.0 108.065 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -80.29 132.78 35.88 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.71 149.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -175.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.88 50.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.083 0.953 . . . . 0.0 108.535 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.35 123.72 21.55 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.131 0.572 . . . . 0.0 110.733 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt -75.37 -24.0 17.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.084 0.554 . . . . 0.0 110.053 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.75 -44.37 95.86 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 123.993 0.806 . . . . 0.0 112.399 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.07 -24.78 0.05 OUTLIER Glycine 0 CA--C 1.528 0.891 0 CA-C-O 118.868 -0.962 . . . . 0.0 114.582 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -81.73 35.21 0.41 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.801 1.8 . . . . 0.0 111.328 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.53 -31.78 68.25 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.693 1.197 . . . . 0.0 111.638 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.62 -14.39 62.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.785 1.234 . . . . 0.0 112.991 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -123.25 68.45 1.0 Allowed 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.053 1.341 . . . . 0.0 109.058 -171.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.1 t -55.7 150.3 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.295 1.438 . . . . 0.0 110.129 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -127.01 178.17 6.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.712 2.005 . . . . 0.0 109.501 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 m -127.49 136.01 51.17 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.6 154.41 47.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.201 1.4 . . . . 0.0 107.887 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.46 138.4 48.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.01 -28.22 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -60.9 -17.3 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.98 2.112 . . . . 0.0 113.606 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.56 11.38 17.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.84 1.656 . . . . 0.0 109.871 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.48 149.84 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 120.291 -1.506 . . . . 0.0 109.023 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.59 112.06 9.92 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 150.64 46.75 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.376 0.607 . . . . 0.0 110.206 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -119.44 131.97 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.502 1.521 . . . . 0.0 107.161 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.94 37.17 7.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.175 1.79 . . . . 0.0 113.436 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.3 p -92.47 173.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.556 0.742 . . . . 0.0 110.638 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.68 157.63 29.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 122.093 0.949 . . . . 0.0 110.118 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.47 -42.47 96.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.83 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -74.26 -28.1 61.06 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.119 0.418 . . . . 0.0 110.801 -175.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 35.2 m -69.29 -48.52 61.42 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -40.88 97.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.96 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.67 -43.74 92.61 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.434 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.8 98.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.091 0.859 . . . . 0.0 110.707 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.82 -50.19 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.91 87.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.6 0.636 . . . . 0.0 110.484 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.59 -41.54 94.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.003 0.921 . . . . 0.0 111.456 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -65.59 -45.39 83.42 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 119.187 -0.435 . . . . 0.0 109.963 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.38 -34.44 77.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.929 0.786 . . . . 0.0 111.359 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -63.18 -52.99 60.14 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 119.213 0.915 . . . . 0.0 109.318 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -58.27 -39.99 80.68 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.67 0.788 . . . . 0.0 111.648 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.84 -53.37 58.71 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.621 1.568 . . . . 0.0 109.743 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.43 68.29 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.407 0.683 . . . . 0.0 112.377 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -72.03 -7.36 48.38 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.989 0.916 . . . . 0.0 112.018 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.32 57.23 6.93 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -56.27 164.26 1.38 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.954 0.883 . . . . 0.0 112.62 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -142.23 18.48 2.08 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.381 1.073 . . . . 0.0 111.802 -169.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.6 p90 . . . . . 0 C--O 1.252 1.23 0 CA-C-N 117.835 0.289 . . . . 0.0 110.548 177.247 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.28 157.64 34.61 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.974 1.31 . . . . 0.0 109.263 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -75.41 17.02 0.29 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.359 1.464 . . . . 0.0 114.553 -170.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -123.08 -3.5 7.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 126.934 2.094 . . . . 0.0 110.786 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -79.64 72.74 6.34 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.416 1.486 . . . . 0.0 107.625 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -35.56 73.66 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.554 1.142 . . . . 0.0 111.506 -170.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -167.81 159.5 11.69 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.696 1.599 . . . . 0.0 107.018 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.33 -18.7 18.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.586 0.755 . . . . 0.0 112.792 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -50.1 -37.66 35.0 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.928 0.891 . . . . 0.0 110.878 169.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -63.96 -47.98 78.3 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 119.617 1.099 . . . . 0.0 110.088 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.46 -44.98 81.07 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.276 0.63 . . . . 0.0 110.152 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -64.18 -45.3 88.96 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 118.929 -0.558 . . . . 0.0 111.186 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -61.99 -45.11 95.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.434 1.015 . . . . 0.0 110.171 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -55.32 -56.24 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.72 -37.21 86.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 112.564 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.5 p -100.84 -10.88 20.29 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.43 -20.73 1.83 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.568 1.076 . . . . 0.0 113.658 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.8 mt -107.54 -44.41 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.889 1.222 . . . . 0.0 109.689 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -122.6 14.5 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.568 0.747 . . . . 0.0 112.183 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.42 -35.18 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.465 1.106 . . . . 0.0 112.61 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -89.84 -7.31 54.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.91 0.884 . . . . 0.0 112.097 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.65 172.3 13.27 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.4 0.619 . . . . 0.0 112.005 -174.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -153.2 -43.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.619 1.168 . . . . 0.0 109.496 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.78 176.02 5.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.056 1.342 . . . . 0.0 108.935 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 120.767 -1.208 . . . . 0.0 111.4 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.22 -41.75 94.12 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.0 -34.61 76.83 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 110.75 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -66.15 -41.73 90.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.998 0.817 . . . . 0.0 110.382 175.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.0 93.43 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.46 0.573 . . . . 0.0 110.277 175.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -37.24 86.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.984 175.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.88 -51.61 56.07 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -56.77 -47.02 81.07 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.23 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.7 -53.41 58.45 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.654 0.382 . . . . 0.0 110.778 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.25 -35.07 73.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.01 -174.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.3 -47.49 84.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.9 0.773 . . . . 0.0 110.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.61 -44.4 82.19 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-O 118.921 -0.562 . . . . 0.0 109.877 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.93 -33.65 72.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.685 0.675 . . . . 0.0 111.976 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.14 -23.2 47.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.102 0.561 . . . . 0.0 112.46 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -99.99 -44.97 5.84 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.16 125.33 26.04 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.93 0.892 . . . . 0.0 109.639 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -82.58 45.86 1.01 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.507 1.523 . . . . 0.0 110.5 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -64.31 160.04 53.33 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.132 -0.98 . . . . 0.0 110.524 173.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.37 148.77 77.78 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 119.94 1.014 . . . . 0.0 110.945 -8.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -150.98 163.85 37.77 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.146 0.579 . . . . 0.0 109.585 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.42 147.85 26.89 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.35 -0.844 . . . . 0.0 108.965 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.06 166.47 31.51 Favored Glycine 0 N--CA 1.449 -0.495 0 O-C-N 121.248 -0.907 . . . . 0.0 110.893 172.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -98.63 126.2 44.15 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 169.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -83.11 106.87 15.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.6 64.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 106.438 -1.689 . . . . 0.0 106.438 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -60.44 114.1 2.77 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.576 1.151 . . . . 0.0 109.49 -171.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -80.02 126.2 30.74 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 171.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 p -175.37 -30.74 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -60.42 121.33 11.8 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.809 0.731 . . . . 0.0 110.976 -169.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.8 tttt 39.06 -96.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.913 2.085 . . . . 0.0 111.932 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -71.38 36.81 0.06 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.141 2.576 . . . . 0.0 113.159 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m 52.58 34.38 15.57 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.045 1.338 . . . . 0.0 111.7 -173.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.7 153.59 41.1 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 125.043 1.337 . . . . 0.0 108.876 -177.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.0 mm -72.52 143.65 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.93 0.892 . . . . 0.0 109.243 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -130.94 153.78 48.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.49 138.82 54.31 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -141.57 144.96 34.53 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -102.42 129.02 48.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.5 m -140.97 158.46 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 122.256 1.027 . . . . 0.0 111.347 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.13 123.0 46.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 168.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -81.49 137.62 20.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.31 -26.81 15.24 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 123.562 0.745 . . . . 0.0 109.977 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.04 177.36 35.03 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.5 mmm -62.65 148.36 46.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.19 165.16 18.13 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.2 152.96 62.36 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.264 1.309 . . . . 0.0 110.891 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -58.25 -28.35 64.84 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.469 0.707 . . . . 0.0 112.064 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.13 -29.3 70.69 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.279 1.031 . . . . 0.0 112.54 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.88 -31.38 35.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.807 0.443 . . . . 0.0 109.991 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -83.34 23.46 0.91 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.054 . . . . 0.0 112.809 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -21.68 56.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.465 1.106 . . . . 0.0 112.585 -173.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -135.33 -17.22 1.8 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -156.42 165.64 35.74 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -92.22 144.29 25.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -140.48 156.38 46.37 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.149 0.58 . . . . 0.0 110.402 -175.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.62 141.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.462 1.505 . . . . 0.0 107.462 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -77.93 134.55 37.86 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.49 150.01 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.331 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.77 135.62 53.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.065 1.346 . . . . 0.0 108.24 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.23 90.22 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.374 1.07 . . . . 0.0 110.604 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.3 mt -47.59 128.31 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.566 1.547 . . . . 0.0 109.864 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.43 12.82 64.33 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-O 118.736 -1.035 . . . . 0.0 114.718 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -127.66 -90.96 0.71 Allowed Glycine 0 C--N 1.336 0.57 0 N-CA-C 108.047 -2.021 . . . . 0.0 108.047 174.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -62.99 -43.44 98.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.848 0.824 . . . . 0.0 109.226 169.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.3 t70 56.88 -17.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 130.562 3.545 . . . . 0.0 117.921 169.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -140.62 18.29 2.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.558 1.543 . . . . 0.0 110.778 -170.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -141.72 161.87 36.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.05 1.34 . . . . 0.0 108.369 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.1 p -132.08 153.29 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.616 1.166 . . . . 0.0 110.18 -169.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -141.54 -172.73 3.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.651 2.381 . . . . 0.0 107.665 -170.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.58 140.64 51.15 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.78 48.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.42 1.488 . . . . 0.0 108.215 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -72.07 138.08 47.57 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.16 -27.2 69.21 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.5 m -64.06 -1.51 1.56 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.863 1.665 . . . . 0.0 113.709 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.45 10.77 4.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.955 1.302 . . . . 0.0 110.354 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -113.92 148.6 16.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 O-C-N 120.888 -1.132 . . . . 0.0 108.563 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -134.49 114.86 13.29 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.24 41.17 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.382 0.61 . . . . 0.0 110.84 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.9 mt -121.65 132.93 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.067 1.347 . . . . 0.0 107.395 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.96 38.77 21.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.979 1.712 . . . . 0.0 113.911 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.4 m -89.04 174.53 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.43 0.692 . . . . 0.0 111.148 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.81 162.63 23.57 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.897 0.856 . . . . 0.0 110.108 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.94 -38.8 89.85 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.631 1.172 . . . . 0.0 110.891 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -72.54 -31.03 64.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.644 0.656 . . . . 0.0 110.912 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.9 m -69.26 -46.96 66.0 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -44.68 95.15 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -62.48 -41.98 99.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.416 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.15 96.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.117 0.871 . . . . 0.0 111.074 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -66.76 -52.36 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.59 -44.8 81.41 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.188 0.595 . . . . 0.0 110.478 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.59 -36.72 85.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.443 0.697 . . . . 0.0 111.872 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -68.68 -41.0 79.85 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.796 0.438 . . . . 0.0 110.713 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.89 -30.58 70.78 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.469 -0.769 . . . . 0.0 110.903 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -64.44 -52.89 55.79 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 119.298 0.954 . . . . 0.0 108.663 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -52.5 -42.55 64.41 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.277 0.944 . . . . 0.0 111.569 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 tp -58.42 -52.92 63.59 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.231 1.012 . . . . 0.0 110.296 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.62 -25.97 68.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.409 0.684 . . . . 0.0 112.69 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -72.17 -12.45 61.19 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.097 0.862 . . . . 0.0 111.64 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.52 36.76 32.85 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.907 -0.941 . . . . 0.0 111.041 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 60.34 -179.95 0.1 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.204 2.202 . . . . 0.0 113.422 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -134.31 -41.45 0.8 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.735 0.814 . . . . 0.0 110.685 169.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.25 1.118 0 CA-C-N 118.935 0.789 . . . . 0.0 109.477 170.189 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ptm . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.611 0.244 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.78 160.62 42.03 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.974 1.31 . . . . 0.0 108.814 173.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -133.89 18.91 3.81 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.378 1.071 . . . . 0.0 112.189 -171.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 p -146.44 45.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 125.017 1.327 . . . . 0.0 107.502 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.8 -24.28 35.0 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.672 1.589 . . . . 0.0 114.788 -169.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.01 5.43 16.43 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.889 -1.132 . . . . 0.0 111.861 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -106.17 17.61 23.25 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.99 1.316 . . . . 0.0 111.581 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -57.19 -18.52 16.0 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.542 1.137 . . . . 0.0 111.621 169.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 p -50.22 -51.76 41.58 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.891 1.676 . . . . 0.0 110.061 169.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -70.7 -33.43 70.87 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -61.85 -39.13 90.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 119.346 0.976 . . . . 0.0 111.017 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -39.95 96.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.361 0.528 . . . . 0.0 110.739 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -64.5 -45.88 85.36 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.706 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mt -55.43 -49.76 70.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 123.828 0.851 . . . . 0.0 109.2 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.7 -34.48 71.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.825 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 p -104.55 -10.19 17.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -134.61 -15.31 2.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -172.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -122.15 -43.92 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 119.9 1.227 . . . . 0.0 110.298 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.1 pt -119.85 15.28 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.779 0.832 . . . . 0.0 111.892 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.93 -33.5 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.952 0.901 . . . . 0.0 112.098 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.9 -8.03 52.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.981 0.912 . . . . 0.0 112.136 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 173.25 11.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.653 0.781 . . . . 0.0 111.52 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.55 -40.47 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.221 1.008 . . . . 0.0 110.309 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -133.0 172.39 12.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.754 1.221 . . . . 0.0 108.593 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.45 -37.69 65.48 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.047 1.739 . . . . 0.0 113.601 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.15 -40.97 86.78 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -72.26 -35.66 68.82 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.806 -0.559 . . . . 0.0 110.177 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -64.82 -41.32 95.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.958 0.799 . . . . 0.0 109.741 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.54 98.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 119.253 -0.403 . . . . 0.0 110.341 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mmt -62.97 -39.21 94.0 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.98 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.15 -50.83 62.62 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.227 0.921 . . . . 0.0 110.973 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -57.39 -49.64 75.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.863 0.331 . . . . 0.0 111.509 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.02 -47.4 86.02 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.466 0.706 . . . . 0.0 110.651 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.9 -43.27 93.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.214 0.461 . . . . 0.0 110.12 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -64.05 -46.04 86.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.858 0.299 . . . . 0.0 110.467 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.0 -43.65 87.1 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.172 0.589 . . . . 0.0 110.126 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.83 -32.75 70.95 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.675 0.671 . . . . 0.0 112.005 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.94 -21.43 40.44 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -100.59 -46.29 5.24 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.259 0.624 . . . . 0.0 112.23 -169.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.1 mt -68.92 127.29 32.58 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -169.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.99 37.45 0.6 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.846 0.858 . . . . 0.0 112.494 -171.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -58.64 154.33 35.89 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.671 0.789 . . . . 0.0 112.626 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.08 142.39 65.03 Favored 'Cis proline' 0 CA--C 1.536 0.622 0 CA-C-N 119.149 0.732 . . . . 0.0 111.557 -4.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.99 157.52 44.28 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.218 1.007 . . . . 0.0 108.788 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.7 ttt -87.62 144.35 26.72 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.142 -0.974 . . . . 0.0 109.579 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 167.87 31.52 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.278 -0.889 . . . . 0.0 111.336 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -96.35 124.6 40.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -86.13 100.1 11.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 169.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -87.44 67.79 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -63.78 124.73 22.23 Favored 'General case' 0 N--CA 1.46 0.026 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -171.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -81.46 125.48 30.5 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 170.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.6 m -146.2 -178.49 6.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.308 1.443 . . . . 0.0 109.387 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 74.75 156.88 0.18 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.17 1.788 . . . . 0.0 111.217 171.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.4 -27.23 67.29 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.295 -0.878 . . . . 0.0 111.712 175.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -80.5 0.58 33.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.233 1.813 . . . . 0.0 112.937 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m 54.63 37.48 28.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.62 1.168 . . . . 0.0 111.768 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.5 m -72.44 137.03 46.16 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.275 1.83 . . . . 0.0 109.47 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 mm -75.26 130.14 36.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 169.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -126.46 97.85 5.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.06 149.64 39.11 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.808 -0.558 . . . . 0.0 111.403 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -139.77 148.51 42.34 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 169.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 m -101.06 127.98 47.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -140.12 161.15 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.335 1.064 . . . . 0.0 111.527 -169.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.53 116.0 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 168.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.12 117.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -87.48 -27.88 22.39 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.414 0.686 . . . . 0.0 111.499 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.43 178.79 38.14 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -62.7 149.41 43.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 169.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.26 167.48 10.08 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.191 0.596 . . . . 0.0 110.135 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -51.61 154.1 9.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.969 2.446 . . . . 0.0 112.841 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.19 -28.19 64.56 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.85 0.86 . . . . 0.0 111.837 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.06 -31.02 70.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.873 0.869 . . . . 0.0 111.924 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -93.1 -39.63 10.96 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.331 0.653 . . . . 0.0 109.256 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.9 m -70.72 3.09 3.42 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.98 -20.21 49.7 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.413 1.485 . . . . 0.0 110.971 169.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -108.22 -38.91 5.63 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.176 0.59 . . . . 0.0 110.524 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -163.86 167.34 20.87 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -79.16 124.48 28.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 120.84 1.654 . . . . 0.0 108.819 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -130.38 155.64 46.05 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.232 1.013 . . . . 0.0 109.241 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.83 141.27 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.961 1.305 . . . . 0.0 108.073 -174.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.09 131.65 36.32 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.19 138.82 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.69 128.82 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.25 89.23 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.707 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt -47.66 129.16 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.917 1.687 . . . . 0.0 109.248 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.02 2.88 54.37 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.531 -1.149 . . . . 0.0 114.776 170.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.6 -87.35 1.22 Allowed Glycine 0 C--N 1.337 0.622 0 N-CA-C 107.216 -2.354 . . . . 0.0 107.216 173.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -62.07 -48.27 80.94 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 169.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.8 t70 57.41 -17.76 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 129.865 3.266 . . . . 0.0 116.637 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -145.28 17.97 1.54 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.253 1.821 . . . . 0.0 110.8 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -138.34 164.18 29.94 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.431 1.492 . . . . 0.0 107.54 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.22 153.29 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.52 0.728 . . . . 0.0 112.544 -167.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -118.5 177.12 4.94 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.427 2.691 . . . . 0.0 108.574 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.9 m -127.36 136.56 52.06 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.0 150.25 52.21 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.238 1.415 . . . . 0.0 108.424 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -73.33 136.56 44.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.12 -24.73 63.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.066 0.546 . . . . 0.0 110.938 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -60.84 -19.37 59.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.545 1.538 . . . . 0.0 113.142 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.72 14.64 18.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 125.046 1.338 . . . . 0.0 109.376 -176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.21 144.61 20.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 O-C-N 120.642 -1.286 . . . . 0.0 108.754 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -132.9 112.4 11.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.4 153.19 43.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.733 -0.604 . . . . 0.0 110.539 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -121.46 131.18 73.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.56 37.26 8.85 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.149 1.78 . . . . 0.0 113.44 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 p -95.29 172.03 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.462 0.705 . . . . 0.0 110.742 -175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.61 158.69 29.27 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 122.047 0.927 . . . . 0.0 110.451 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.73 -39.97 90.64 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.241 1.016 . . . . 0.0 110.855 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.78 -32.08 63.61 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.141 0.428 . . . . 0.0 110.905 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.4 m -67.85 -46.68 71.07 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -45.43 94.78 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.13 -41.73 97.26 Favored 'General case' 0 C--O 1.23 0.05 0 CA-C-N 118.844 0.747 . . . . 0.0 111.729 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.28 99.19 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.439 0.563 . . . . 0.0 111.071 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.2 mt -67.67 -50.41 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 C-N-CA 123.398 0.679 . . . . 0.0 109.241 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.0 71.23 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.397 0.679 . . . . 0.0 110.34 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -64.09 -33.35 75.56 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 122.964 0.506 . . . . 0.0 112.275 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.32 -40.63 90.05 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.305 -0.872 . . . . 0.0 110.432 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.87 -36.29 80.02 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.475 -0.766 . . . . 0.0 110.673 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -68.63 -40.66 80.2 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.309 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -55.88 -37.52 68.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.833 1.253 . . . . 0.0 111.04 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -50.75 71.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.494 0.718 . . . . 0.0 109.782 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.5 -21.02 59.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.534 0.734 . . . . 0.0 112.667 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -81.03 1.17 32.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.03 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.37 32.84 76.19 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 118.453 -1.193 . . . . 0.0 112.969 171.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 59.66 172.26 0.08 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.387 2.275 . . . . 0.0 114.672 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -138.22 -3.31 1.77 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.351 1.061 . . . . 0.0 112.509 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 . . . . . 0 C--O 1.251 1.135 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.323 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.28 -19.6 62.32 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.618 0.767 . . . . 0.0 112.924 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m 53.1 27.08 5.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.739 1.616 . . . . 0.0 113.478 -174.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -60.28 154.17 4.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 169.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.85 120.98 8.81 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -172.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 38.0 62.12 0.98 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 126.817 2.047 . . . . 0.0 112.232 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -42.81 -38.83 2.27 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.911 1.284 . . . . 0.0 113.777 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.32 -36.46 58.28 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.513 -0.742 . . . . 0.0 111.959 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.7 m -65.55 -33.35 75.71 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.566 0.621 . . . . 0.0 109.586 170.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -59.54 5.27 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 173.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -55.15 -45.66 75.68 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.403 0.547 . . . . 0.0 110.535 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -58.03 -55.72 31.24 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.309 0.644 . . . . 0.0 111.742 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -79.07 -30.37 43.92 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.396 -0.815 . . . . 0.0 111.659 -169.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.35 -52.11 64.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.68 -41.93 98.23 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.634 0.374 . . . . 0.0 111.652 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.4 p -87.83 -13.64 41.61 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -172.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -133.08 -17.39 2.4 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -121.28 -42.92 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 119.41 1.004 . . . . 0.0 110.048 -169.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 pt -117.19 15.65 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 123.481 0.712 . . . . 0.0 111.74 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.56 -33.93 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 124.142 0.977 . . . . 0.0 111.744 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.03 -8.88 56.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.099 0.96 . . . . 0.0 112.198 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.23 172.22 12.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.469 0.652 . . . . 0.0 111.701 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -149.85 -33.03 0.19 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.397 1.079 . . . . 0.0 111.153 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -142.85 173.84 11.19 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.32 1.448 . . . . 0.0 107.468 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.66 -27.72 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.64 -40.18 92.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.677 0.671 . . . . 0.0 109.409 172.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -71.03 -31.23 67.65 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.679 -0.638 . . . . 0.0 110.599 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -65.13 -44.54 88.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.211 0.914 . . . . 0.0 109.239 174.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.19 94.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.573 0.349 . . . . 0.0 110.552 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -64.76 -38.37 90.76 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.225 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.08 -51.13 60.22 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.445 1.02 . . . . 0.0 110.798 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.53 -47.97 80.55 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.591 0.356 . . . . 0.0 111.515 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -60.89 -47.34 86.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.126 0.571 . . . . 0.0 110.271 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -67.06 -40.61 87.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.705 0.684 . . . . 0.0 110.67 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -63.51 -47.07 83.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.247 0.476 . . . . 0.0 110.264 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.49 -40.53 80.87 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.041 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -35.07 73.49 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 111.768 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -78.34 -22.85 47.39 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.3 m -100.25 -46.56 5.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -69.98 132.44 45.94 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.595 0.758 . . . . 0.0 110.214 -169.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.96 24.58 0.4 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.611 1.164 . . . . 0.0 113.56 -176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -58.49 155.21 29.64 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.178 -0.951 . . . . 0.0 111.767 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.62 144.3 63.17 Favored 'Cis proline' 0 C--N 1.351 0.702 0 CA-C-N 119.834 0.977 . . . . 0.0 111.457 -3.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -147.49 167.22 25.02 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.177 0.591 . . . . 0.0 109.838 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ttt -91.71 147.0 23.31 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.395 -0.816 . . . . 0.0 109.246 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.99 177.36 31.48 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 173.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -102.32 124.73 48.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.42 103.1 10.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 169.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -88.28 64.54 7.66 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.554 1.942 . . . . 0.0 106.208 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.01 133.72 55.03 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -55.14 140.66 37.64 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.935 1.243 . . . . 0.0 108.71 169.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -53.67 149.9 7.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.371 0.605 . . . . 0.0 111.038 172.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -57.74 -31.4 66.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.615 1.166 . . . . 0.0 111.84 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -135.29 166.22 23.64 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.234 1.814 . . . . 0.0 106.431 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.407 HG21 ' H ' ' A' ' 56' ' ' SER . 4.2 m 60.17 -170.57 0.14 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.603 0.761 . . . . 0.0 109.68 -171.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.407 ' H ' HG21 ' A' ' 55' ' ' THR . 15.7 m -122.59 21.48 10.12 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.899 1.28 . . . . 0.0 111.359 -173.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -72.07 -174.23 1.21 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.265 1.426 . . . . 0.0 109.928 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.1 mm -130.3 142.13 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -171.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -113.44 149.24 34.5 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.08 126.01 40.37 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.32 -0.862 . . . . 0.0 109.314 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -137.86 130.75 30.03 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.6 m -79.12 130.22 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 m -142.43 160.77 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 122.136 0.97 . . . . 0.0 111.937 -169.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -110.94 122.28 47.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 168.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -83.37 139.51 17.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.92 -19.6 19.41 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.131 0.572 . . . . 0.0 110.722 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.58 171.55 20.85 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.2 mtp -65.09 151.1 46.91 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.6 166.37 9.51 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 123.202 0.601 . . . . 0.0 110.338 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.66 155.53 7.61 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.034 2.489 . . . . 0.0 112.928 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.78 -29.42 62.65 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.835 0.854 . . . . 0.0 111.848 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.12 -31.9 71.59 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.69 0.796 . . . . 0.0 111.934 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.28 -38.39 12.69 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -69.56 6.51 1.07 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.28 -17.7 51.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.511 1.524 . . . . 0.0 111.804 169.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -117.75 -28.34 6.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.924 0.784 . . . . 0.0 113.018 -169.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.13 169.75 21.74 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mmt -83.65 127.99 34.19 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -132.01 156.2 46.67 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.521 0.728 . . . . 0.0 110.086 -174.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -141.48 139.54 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.955 1.302 . . . . 0.0 108.596 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.89 136.87 38.86 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.6 p -149.88 144.79 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.301 -0.249 . . . . 0.0 110.763 -168.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.81 140.06 47.8 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.747 1.219 . . . . 0.0 108.839 -175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.11 114.84 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.964 0.906 . . . . 0.0 110.845 -175.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.7 mt -75.64 -28.05 19.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.83 -35.1 73.46 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.663 1.125 . . . . 0.0 112.88 -173.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.06 -35.99 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 CA-C-O 117.925 -1.486 . . . . 0.0 115.735 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -47.32 66.1 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.227 2.013 . . . . 0.0 109.956 -170.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.9 t70 58.41 -22.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 129.208 3.003 . . . . 0.0 116.78 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -140.66 21.71 2.33 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.611 1.565 . . . . 0.0 111.066 -169.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -135.91 155.32 50.47 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.966 1.306 . . . . 0.0 108.237 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.4 p -138.33 157.96 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 124.036 0.934 . . . . 0.0 111.037 -168.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -140.61 -176.24 4.57 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.735 2.414 . . . . 0.0 108.501 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.49 141.29 51.04 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.71 160.23 38.17 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.84 1.256 . . . . 0.0 108.993 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -75.06 140.27 43.39 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 169.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.49 -28.41 65.36 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 169.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m -56.6 -24.31 46.81 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.804 2.042 . . . . 0.0 114.064 174.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.16 12.05 27.0 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.091 1.356 . . . . 0.0 110.075 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -119.2 151.51 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 O-C-N 120.257 -1.527 . . . . 0.0 108.643 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -138.36 134.76 34.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.51 154.25 21.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.586 0.708 . . . . 0.0 110.668 -173.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.2 mt -122.95 132.52 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.29 31.27 9.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.868 1.667 . . . . 0.0 114.444 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 m -82.99 174.26 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 121.22 -0.925 . . . . 0.0 111.135 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.33 161.12 17.42 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.986 0.898 . . . . 0.0 109.151 169.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.41 -41.17 98.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.185 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -72.11 -28.56 63.37 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.285 0.493 . . . . 0.0 111.324 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.0 m -69.45 -48.24 61.47 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.768 -0.826 . . . . 0.0 108.768 173.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.83 -41.67 99.43 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.562 0.619 . . . . 0.0 109.773 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -59.26 -44.41 92.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.943 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.11 93.71 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.042 0.837 . . . . 0.0 111.32 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.92 -50.79 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.184 0.594 . . . . 0.0 109.6 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.79 88.53 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.51 0.596 . . . . 0.0 110.524 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.54 -40.74 97.81 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 111.469 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -62.9 -43.86 97.66 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 119.08 -0.486 . . . . 0.0 109.695 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.31 -32.73 74.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.937 0.79 . . . . 0.0 111.676 -176.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -65.52 -49.85 67.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.611 1.096 . . . . 0.0 110.703 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -59.26 -42.03 90.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.741 0.816 . . . . 0.0 110.806 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.11 -52.54 65.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.434 1.894 . . . . 0.0 110.075 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.39 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.567 0.747 . . . . 0.0 112.137 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -70.41 -6.47 35.9 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.1 36.46 72.12 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-N 119.805 1.184 . . . . 0.0 111.621 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -35.55 -65.93 0.22 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 127.891 2.476 . . . . 0.0 115.707 -176.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp 51.11 34.09 10.43 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.384 2.274 . . . . 0.0 112.513 -171.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 127.36 2.264 . . . . 0.0 110.293 -179.603 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.64 118.57 4.99 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -142.13 32.1 1.55 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.902 1.281 . . . . 0.0 109.745 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.55 -31.76 51.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.264 1.026 . . . . 0.0 113.007 -169.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 7' ' ' ASP . 2.6 tt0 -158.85 -127.41 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 170.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -77.95 45.38 0.52 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.082 2.153 . . . . 0.0 108.447 169.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' A' ' 5' ' ' GLU . 27.1 t70 -25.99 -56.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 129.8 3.24 . . . . 0.0 115.468 -169.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.56 -32.9 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -172.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -68.67 -37.58 79.73 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 170.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -68.68 -48.13 64.7 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.558 -177.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.91 -34.76 79.16 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.126 0.876 . . . . 0.0 110.687 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -66.62 -39.28 88.26 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.451 0.569 . . . . 0.0 111.27 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -73.13 -33.27 65.43 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.375 -1.453 . . . . 0.0 111.424 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mt -57.13 -51.09 73.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.18 -33.57 69.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 112.251 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 p -107.1 -10.59 15.85 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -132.65 -14.98 2.78 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.129 0.877 . . . . 0.0 112.882 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mt -121.37 -47.2 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.543 1.065 . . . . 0.0 109.927 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.8 pt -115.69 13.47 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.973 0.806 . . . . 0.0 112.064 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.87 -34.07 36.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.907 0.883 . . . . 0.0 112.022 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.38 -9.85 53.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.107 0.963 . . . . 0.0 112.184 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.71 178.78 7.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.922 0.889 . . . . 0.0 111.643 -175.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.46 -43.22 0.22 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.01 0.924 . . . . 0.0 110.536 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -141.52 171.6 13.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.328 1.451 . . . . 0.0 108.105 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -49.25 -37.76 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.467 1.907 . . . . 0.0 114.751 -169.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.17 -42.96 75.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.66 0.663 . . . . 0.0 109.54 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -69.54 -32.91 72.01 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.336 0.654 . . . . 0.0 110.29 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -70.04 -40.91 74.85 Favored 'General case' 0 N--CA 1.462 0.154 0 O-C-N 121.528 -0.733 . . . . 0.0 109.043 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.69 -43.38 85.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.243 0.474 . . . . 0.0 110.465 171.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -64.72 -38.55 91.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.489 0.586 . . . . 0.0 111.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.83 -51.3 57.87 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -58.41 -47.47 83.8 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.288 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -57.89 -53.46 58.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.121 0.568 . . . . 0.0 110.717 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.36 -30.61 63.42 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.096 -173.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.45 -46.3 86.9 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.142 0.883 . . . . 0.0 110.167 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.71 -45.11 87.97 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.694 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.71 -33.82 70.62 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.602 0.637 . . . . 0.0 112.02 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.33 -22.02 45.09 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.27 0.628 . . . . 0.0 112.507 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -99.32 -45.95 5.69 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.118 0.567 . . . . 0.0 111.807 -170.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.01 125.32 25.95 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.905 0.882 . . . . 0.0 109.072 -169.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -82.88 49.73 1.57 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.258 1.423 . . . . 0.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 27.6 p90 -63.72 158.43 60.44 Favored Pre-proline 0 CA--C 1.545 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 110.661 173.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.74 144.39 64.1 Favored 'Cis proline' 0 C--N 1.35 0.612 0 CA-C-N 119.829 0.975 . . . . 0.0 110.752 -7.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -146.11 161.75 39.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttt -90.99 144.68 25.41 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.532 -0.73 . . . . 0.0 109.111 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.43 170.41 32.86 Favored Glycine 0 C--N 1.332 0.353 0 O-C-N 121.509 -0.744 . . . . 0.0 111.871 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -100.6 127.45 46.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -84.03 106.55 15.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -89.8 66.57 7.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 125.071 1.348 . . . . 0.0 107.386 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.79 112.87 1.79 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -84.15 -34.67 23.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.473 0.579 . . . . 0.0 109.941 175.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 m -73.53 18.05 0.13 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.924 1.29 . . . . 0.0 112.784 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -63.87 -43.18 96.83 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.155 -0.966 . . . . 0.0 112.173 -171.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -159.83 -47.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.413 -169.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 m -144.46 34.63 1.18 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.208 0.913 . . . . 0.0 110.25 -169.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 m 54.62 54.36 9.35 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 122.287 1.042 . . . . 0.0 109.289 -169.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 p -133.88 130.79 38.34 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 127.085 2.154 . . . . 0.0 107.175 -169.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.3 mm -67.19 135.6 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.25 148.76 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.91 137.61 51.03 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.966 0.506 . . . . 0.0 110.104 -169.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -134.4 139.08 45.33 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.6 m -94.83 125.59 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.9 155.92 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 122.199 1.0 . . . . 0.0 110.962 -169.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -105.23 118.84 37.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 169.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -79.3 140.85 16.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 173.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.06 -24.58 14.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.235 0.614 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.417 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.43 178.04 35.96 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -178.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 93.9 mmm -62.13 150.19 39.28 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 169.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 165.93 8.17 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.35 145.78 97.94 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 CA-C-N 120.394 1.177 . . . . 0.0 110.312 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -58.77 -27.91 65.43 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.849 0.86 . . . . 0.0 111.895 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.88 -24.29 66.84 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.859 1.264 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.53 -8.35 35.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.368 0.667 . . . . 0.0 111.301 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -105.31 24.4 12.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.946 0.898 . . . . 0.0 112.537 -169.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -20.13 61.23 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.693 0.797 . . . . 0.0 112.184 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -126.72 -20.7 4.23 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -162.84 161.5 26.01 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 141.39 28.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.597 0.759 . . . . 0.0 110.299 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.77 158.3 44.16 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.154 0.982 . . . . 0.0 110.412 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.06 144.83 32.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.559 1.544 . . . . 0.0 107.797 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.75 135.18 35.94 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.5 152.01 21.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 123.131 0.572 . . . . 0.0 110.18 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.27 137.04 53.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.68 125.82 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.755 0.422 . . . . 0.0 110.5 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.5 mt -83.37 -22.8 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.51 -43.53 94.07 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.233 0.921 . . . . 0.0 112.571 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.02 -27.62 0.04 OUTLIER Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.066 -0.852 . . . . 0.0 114.518 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -82.64 36.17 0.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.498 1.649 . . . . 0.0 111.288 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.85 -22.2 64.0 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.001 1.32 . . . . 0.0 111.848 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.12 -11.36 29.49 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.432 1.493 . . . . 0.0 113.021 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -135.72 166.21 23.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.867 1.267 . . . . 0.0 109.981 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.8 t -136.85 151.53 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -137.65 178.52 7.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 126.433 1.893 . . . . 0.0 109.025 -169.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.2 m -127.66 135.76 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.94 151.85 49.21 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.052 1.341 . . . . 0.0 107.791 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -64.04 126.66 28.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 m -69.61 -4.72 20.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.355 2.262 . . . . 0.0 113.028 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.74 12.84 9.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.876 1.67 . . . . 0.0 109.222 177.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -111.13 147.74 14.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 O-C-N 120.467 -1.396 . . . . 0.0 108.609 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.11 112.19 11.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.21 152.1 45.49 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.338 0.59 . . . . 0.0 110.472 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.6 mt -119.43 132.1 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.05 39.39 11.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.072 1.749 . . . . 0.0 113.3 173.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 p -96.72 171.81 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.469 0.708 . . . . 0.0 110.508 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.22 157.68 36.46 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.328 0.585 . . . . 0.0 110.9 178.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.9 -38.32 72.64 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.621 0.768 . . . . 0.0 113.042 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -75.61 -38.12 59.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.274 0.943 . . . . 0.0 110.67 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.4 m -60.89 -47.32 86.95 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.153 0.981 . . . . 0.0 109.37 170.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -63.19 -45.18 92.96 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -60.39 -44.9 95.22 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.312 0.645 . . . . 0.0 111.17 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.28 95.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.172 0.442 . . . . 0.0 110.588 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.6 -51.48 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.991 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.14 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.086 0.857 . . . . 0.0 110.557 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.09 -41.64 92.94 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.707 0.803 . . . . 0.0 111.348 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -67.11 -41.2 86.6 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.211 0.46 . . . . 0.0 110.697 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.52 -44.92 77.23 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.636 0.653 . . . . 0.0 110.874 -175.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.251 1.8 p90 -76.27 -23.14 54.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.523 1.056 . . . . 0.0 111.642 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -66.88 -37.26 84.07 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.736 1.153 . . . . 0.0 109.14 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.51 -49.25 75.27 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.32 172.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -22.81 67.11 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.182 0.993 . . . . 0.0 112.76 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -69.29 -10.53 58.29 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.993 0.917 . . . . 0.0 112.018 176.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.15 40.25 34.9 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -52.88 156.41 2.03 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.958 1.303 . . . . 0.0 112.512 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -145.88 19.66 1.45 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.486 1.914 . . . . 0.0 109.639 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--O 1.249 1.07 0 C-N-CA 125.614 1.566 . . . . 0.0 108.322 -168.494 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.37 168.36 9.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.116 0.566 . . . . 0.0 111.409 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -128.12 34.93 4.51 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.157 1.383 . . . . 0.0 109.782 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.0 m -73.53 -13.48 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 125.368 1.467 . . . . 0.0 113.227 -172.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -63.36 157.38 23.22 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.212 0.915 . . . . 0.0 111.331 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -59.14 -51.61 69.27 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.414 0.685 . . . . 0.0 110.36 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -166.85 172.56 10.26 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 126.916 2.086 . . . . 0.0 106.283 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.06 -17.33 17.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.918 0.887 . . . . 0.0 112.519 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 m -51.58 -39.27 57.55 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.606 1.163 . . . . 0.0 110.992 169.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -67.11 -39.39 86.66 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.215 -0.928 . . . . 0.0 110.385 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -62.99 -38.49 91.4 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.173 0.897 . . . . 0.0 110.513 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -65.15 -40.98 95.15 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.11 -0.369 . . . . 0.0 110.962 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -67.87 -36.89 81.06 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.03 -1.044 . . . . 0.0 111.251 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -58.61 -53.16 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 171.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.42 -40.38 94.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.08 0.552 . . . . 0.0 111.99 -174.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -83.77 -9.18 58.99 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.168 1.174 . . . . 0.0 114.168 -169.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.5 -24.74 0.14 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -79.25 -40.67 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 120.472 1.487 . . . . 0.0 109.341 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.11 15.34 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.856 0.862 . . . . 0.0 112.387 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.91 -33.58 35.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.539 -0.726 . . . . 0.0 112.265 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.72 -8.11 55.08 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.225 1.01 . . . . 0.0 112.135 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.42 171.86 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.681 -0.637 . . . . 0.0 111.613 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -150.31 -42.54 0.13 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.266 1.026 . . . . 0.0 110.156 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -121.42 178.17 4.91 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.876 1.271 . . . . 0.0 109.045 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -64.08 -37.88 89.04 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.902 -1.124 . . . . 0.0 112.183 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.69 -41.22 88.42 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -66.64 -34.19 77.31 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.008 -0.433 . . . . 0.0 110.503 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -68.22 -43.56 77.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.888 0.767 . . . . 0.0 110.12 176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.61 85.83 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.709 0.686 . . . . 0.0 110.517 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -37.47 85.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.696 -0.668 . . . . 0.0 112.114 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.57 -51.61 55.44 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -56.42 -47.36 79.19 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.22 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.46 -53.49 57.52 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.298 0.499 . . . . 0.0 110.786 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.52 -31.65 67.29 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.421 0.555 . . . . 0.0 111.276 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.67 -45.74 81.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.81 0.732 . . . . 0.0 110.314 175.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.11 -40.02 90.42 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.58 -0.724 . . . . 0.0 109.683 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.94 -34.42 73.22 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.063 0.847 . . . . 0.0 111.505 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.95 -22.09 46.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.166 0.586 . . . . 0.0 112.439 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.7 m -98.86 -47.25 5.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.001 0.52 . . . . 0.0 111.834 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.73 120.31 15.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -84.25 48.7 1.53 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.16 0.984 . . . . 0.0 109.99 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -63.45 159.43 50.83 Favored Pre-proline 0 CA--C 1.546 0.817 0 O-C-N 121.581 -0.699 . . . . 0.0 110.763 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.52 144.53 58.72 Favored 'Cis proline' 0 C--N 1.35 0.65 0 CA-C-N 119.998 1.035 . . . . 0.0 111.004 -5.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 160.74 41.05 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -88.58 144.32 26.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.38 171.07 31.63 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 119.201 0.909 . . . . 0.0 111.92 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -100.65 124.21 45.92 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 169.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.44 107.09 13.92 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -83.57 64.95 8.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.624 1.17 . . . . 0.0 107.865 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -65.73 127.51 32.24 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -78.84 125.06 28.86 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 m -151.94 -166.65 2.55 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.399 1.88 . . . . 0.0 109.062 -175.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 71.26 161.8 0.24 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.608 2.363 . . . . 0.0 111.499 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.25 -32.44 70.0 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.877 -0.514 . . . . 0.0 110.605 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -71.65 -9.42 58.22 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.858 1.263 . . . . 0.0 113.289 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.3 m 53.62 60.68 3.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.684 1.129 . . . . 0.0 110.46 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 p -126.17 163.73 22.5 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.418 1.887 . . . . 0.0 109.21 -170.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.3 mm -80.02 128.02 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -107.01 146.85 30.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 168.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.25 111.79 17.37 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -169.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -118.36 121.77 41.2 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -77.54 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.3 m -139.42 159.08 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.035 0.922 . . . . 0.0 110.558 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.77 123.2 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 168.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -85.01 130.52 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -88.18 -26.36 22.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.777 0.431 . . . . 0.0 110.418 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.76 176.04 34.42 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 95.0 mtp -64.09 150.69 44.96 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.31 166.79 15.11 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.9 149.71 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.628 2.219 . . . . 0.0 112.492 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.54 -30.19 64.99 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.846 0.459 . . . . 0.0 111.284 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.26 -26.61 68.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 112.52 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -81.49 -31.74 32.77 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.82 -0.55 . . . . 0.0 109.97 172.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.32 25.05 1.05 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.238 -169.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -19.95 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.33 1.052 . . . . 0.0 112.71 -175.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -133.35 -23.9 1.86 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.128 0.971 . . . . 0.0 113.049 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -155.59 158.66 38.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.53 143.85 29.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.8 158.46 44.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.967 0.907 . . . . 0.0 110.323 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.52 139.94 31.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 125.37 1.468 . . . . 0.0 108.022 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -78.78 135.13 37.01 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -139.22 151.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 123.035 0.534 . . . . 0.0 109.855 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.9 133.19 53.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -65.88 130.79 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt -96.84 -49.21 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.69 -26.94 71.34 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 123.861 0.743 . . . . 0.0 113.072 -170.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.74 50.94 0.57 Allowed Glycine 0 CA--C 1.523 0.543 0 C-N-CA 125.949 1.738 . . . . 0.0 109.588 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 150.69 2.35 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.529 0.731 . . . . 0.0 112.231 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -135.68 23.19 3.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.787 1.235 . . . . 0.0 110.101 176.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.4 t70 50.48 37.69 16.46 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.899 1.68 . . . . 0.0 111.665 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -137.15 163.16 31.49 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.773 1.629 . . . . 0.0 110.073 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t -134.19 153.88 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.85 1.66 . . . . 0.0 108.062 -169.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -139.89 -177.27 4.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.917 2.087 . . . . 0.0 108.969 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.49 139.56 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 161.77 28.64 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.877 1.671 . . . . 0.0 107.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -85.05 144.42 28.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.51 -30.59 70.72 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 168.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -62.2 -13.17 24.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.576 1.951 . . . . 0.0 114.933 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -131.73 19.52 4.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 120.248 1.386 . . . . 0.0 112.39 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.07 152.5 13.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.651 1.581 . . . . 0.0 108.143 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.47 134.4 33.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.83 158.12 29.63 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.808 0.813 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -124.4 131.82 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.64 41.2 13.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.887 1.675 . . . . 0.0 113.143 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.38 171.47 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.513 0.725 . . . . 0.0 110.396 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 157.89 37.22 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.53 0.681 . . . . 0.0 110.802 178.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.66 -38.01 74.37 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.72 -175.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.93 -38.26 57.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.112 0.869 . . . . 0.0 110.601 -174.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.0 m -59.45 -50.29 74.49 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.75 0.82 . . . . 0.0 109.162 170.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.31 -38.31 89.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.286 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.96 -43.03 94.01 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.793 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.77 95.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.923 0.783 . . . . 0.0 110.612 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.37 -53.62 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.316 0.646 . . . . 0.0 109.59 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.12 91.16 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.23 0.468 . . . . 0.0 110.983 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.472 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 10.2 t70 -62.37 -46.96 86.27 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 110.292 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -63.38 -37.48 87.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.471 0.308 . . . . 0.0 111.166 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.16 -42.43 75.93 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 121.571 -0.705 . . . . 0.0 110.455 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.472 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 3.0 p90 -71.75 -33.47 68.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.431 174.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -58.82 -37.88 77.42 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 120.787 1.63 . . . . 0.0 111.725 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.83 -48.32 80.1 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.745 -0.597 . . . . 0.0 109.58 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.15 66.85 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -66.87 -18.01 65.17 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 120.104 1.32 . . . . 0.0 111.674 172.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.28 37.5 41.9 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -169.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 57.31 -169.73 0.1 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.053 1.741 . . . . 0.0 113.437 172.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -129.27 -47.85 1.2 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.043 1.337 . . . . 0.0 109.375 169.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 49.2 p90 . . . . . 0 C--O 1.25 1.083 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 4' ' ' VAL . . . -79.41 56.4 2.13 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.483 1.113 . . . . 0.0 110.706 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -71.85 22.33 0.05 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.084 2.154 . . . . 0.0 113.094 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 2' ' ' ALA . 6.2 p -62.76 -22.74 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.17 1.788 . . . . 0.0 111.898 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.41 148.07 19.98 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.746 1.219 . . . . 0.0 111.796 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -64.59 -53.49 46.86 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.537 0.735 . . . . 0.0 110.855 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -173.98 160.54 3.53 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 126.942 2.097 . . . . 0.0 106.691 -173.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.74 -22.75 37.75 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.893 0.877 . . . . 0.0 112.592 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.0 m -51.16 -40.01 57.65 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.371 -0.83 . . . . 0.0 111.286 170.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -67.78 -37.82 82.55 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.936 1.244 . . . . 0.0 110.785 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -60.22 -44.23 95.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 119.024 0.829 . . . . 0.0 109.736 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -63.77 -43.97 94.8 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.166 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -63.17 -42.56 99.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.547 1.067 . . . . 0.0 110.75 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -55.39 -55.33 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.15 -35.59 79.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.889 0.876 . . . . 0.0 112.502 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.8 p -102.8 -12.75 17.36 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -137.3 -14.74 1.5 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.31 -47.89 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 120.139 1.336 . . . . 0.0 109.473 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -120.16 13.46 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.471 0.708 . . . . 0.0 112.083 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.25 -35.25 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.471 1.108 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.75 -6.47 48.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.918 0.887 . . . . 0.0 111.898 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.82 165.71 24.8 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.651 -0.656 . . . . 0.0 111.662 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' H ' ' HB2' ' A' ' 27' ' ' GLU . 37.1 tt0 -148.41 -27.69 0.32 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.094 0.958 . . . . 0.0 112.164 -175.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -148.1 174.15 12.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.099 1.36 . . . . 0.0 107.909 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -56.19 -36.44 68.39 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.846 1.259 . . . . 0.0 114.304 -170.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.96 -37.95 82.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HB2' ' H ' ' A' ' 23' ' ' GLU . 48.3 mm-40 -73.07 -34.37 66.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.701 -0.624 . . . . 0.0 110.323 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -43.84 97.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.364 0.983 . . . . 0.0 109.235 172.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.92 93.23 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.349 0.522 . . . . 0.0 110.461 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -62.99 -40.48 97.88 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.153 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.06 -51.51 57.9 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.034 0.834 . . . . 0.0 111.106 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -59.18 -45.81 90.04 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.304 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -59.78 -48.86 79.99 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.327 0.651 . . . . 0.0 110.422 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -65.15 -41.2 94.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.558 0.617 . . . . 0.0 110.58 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.68 -46.0 77.07 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.099 0.409 . . . . 0.0 110.568 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.76 -40.2 88.16 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.74 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.89 -34.56 73.34 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.932 0.787 . . . . 0.0 111.567 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -78.8 -21.73 47.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.29 0.636 . . . . 0.0 112.404 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.9 m -100.17 -45.72 5.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.962 0.505 . . . . 0.0 112.236 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -71.3 126.32 29.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -170.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.75 44.16 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.238 1.415 . . . . 0.0 110.384 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -63.57 156.73 69.82 Favored Pre-proline 0 CA--C 1.545 0.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.938 174.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.03 145.9 76.54 Favored 'Cis proline' 0 C--N 1.349 0.57 0 CA-C-N 119.649 0.91 . . . . 0.0 111.666 -4.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -147.71 167.14 25.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.272 1.029 . . . . 0.0 109.381 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -94.16 145.16 24.89 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.26 -0.9 . . . . 0.0 108.941 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.59 171.0 31.77 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 119.753 1.161 . . . . 0.0 111.544 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -101.07 124.52 46.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.54 102.67 10.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -86.85 64.52 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.495 1.918 . . . . 0.0 106.317 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -62.65 134.98 57.13 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -173.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -56.36 141.01 43.51 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 119.404 1.002 . . . . 0.0 108.457 169.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.6 m -54.22 159.05 2.04 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.072 0.949 . . . . 0.0 111.941 175.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -55.81 -29.33 59.58 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.211 1.404 . . . . 0.0 113.483 -171.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -139.88 -49.24 0.47 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.705 0.684 . . . . 0.0 110.566 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 p -65.04 167.58 7.71 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.392 1.077 . . . . 0.0 111.71 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m -81.66 2.74 28.2 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.41 1.084 . . . . 0.0 112.633 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 p -72.81 -173.61 1.25 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.415 1.486 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 mm -129.43 139.67 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -171.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -113.51 149.79 33.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 104.44 -2.43 . . . . 0.0 104.44 169.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.2 126.8 41.7 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.229 -0.919 . . . . 0.0 109.224 -169.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -137.35 130.34 30.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 m -81.27 128.51 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.8 154.53 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 122.257 1.027 . . . . 0.0 110.587 -171.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.19 126.03 44.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 168.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.8 t -96.4 111.75 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -38.52 59.78 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.137 0.575 . . . . 0.0 110.216 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 165.07 178.24 38.18 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.0 mtp -64.4 151.29 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.32 0.581 . . . . 0.0 110.109 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 165.43 8.2 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.241 1.017 . . . . 0.0 109.897 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -62.83 163.97 20.32 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.838 1.692 . . . . 0.0 111.604 174.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.18 -28.33 64.67 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.976 0.91 . . . . 0.0 112.166 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.33 -31.2 71.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.436 0.694 . . . . 0.0 111.888 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -86.89 -43.65 12.27 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.0 m -71.85 2.65 5.16 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.04 -20.09 53.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.237 1.415 . . . . 0.0 110.837 169.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -106.87 -41.82 5.1 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.553 0.741 . . . . 0.0 110.02 -169.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -165.4 166.41 18.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.166 1.386 . . . . 0.0 107.544 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -79.47 125.92 30.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 119.905 1.23 . . . . 0.0 108.514 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -134.83 158.42 44.25 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.431 1.093 . . . . 0.0 109.485 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.99 140.98 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.989 1.315 . . . . 0.0 108.005 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -80.15 131.53 35.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.95 151.27 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.72 0.808 . . . . 0.0 109.324 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.67 126.85 48.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.28 120.38 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt -80.76 -24.85 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.349 0.66 . . . . 0.0 109.263 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.29 -34.36 89.7 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.935 0.779 . . . . 0.0 113.185 -171.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.48 -44.52 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 CA-C-O 118.753 -1.026 . . . . 0.0 113.606 -174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -67.51 -51.55 49.64 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.019 1.409 . . . . 0.0 110.816 -172.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.1 t70 58.18 -21.38 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 129.476 3.11 . . . . 0.0 117.108 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -140.72 18.09 2.34 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.803 1.241 . . . . 0.0 112.002 -169.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -140.24 156.89 46.31 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.344 1.058 . . . . 0.0 108.518 171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.5 t -132.28 147.12 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.335 1.054 . . . . 0.0 109.045 -168.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -142.04 -161.11 1.18 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.924 1.69 . . . . 0.0 108.986 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -129.14 143.62 50.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.242 0.928 . . . . 0.0 109.721 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.19 156.92 45.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.985 1.714 . . . . 0.0 108.807 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -72.1 137.75 47.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 169.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.22 -29.32 68.66 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 m -61.96 -15.89 47.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.833 1.653 . . . . 0.0 113.362 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.89 12.34 16.85 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.469 1.108 . . . . 0.0 109.088 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.91 146.35 18.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.507 -1.371 . . . . 0.0 108.97 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -133.66 113.61 12.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 170.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.24 152.47 44.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.417 0.627 . . . . 0.0 110.26 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -119.49 132.36 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.62 39.46 9.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.022 1.729 . . . . 0.0 113.176 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 p -95.86 173.22 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.668 0.787 . . . . 0.0 110.37 -175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.34 158.83 25.43 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 122.142 0.972 . . . . 0.0 110.552 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.15 -41.95 97.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.761 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -74.81 -27.8 60.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.368 0.531 . . . . 0.0 110.71 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 31.2 m -69.55 -47.69 62.81 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 173.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -44.73 96.3 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.74 -43.06 98.41 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.137 0.575 . . . . 0.0 111.517 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.38 99.49 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.868 0.758 . . . . 0.0 111.227 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -66.08 -50.25 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.78 74.86 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.045 0.538 . . . . 0.0 110.379 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.43 -36.97 85.54 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -67.14 -36.15 81.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.928 -0.483 . . . . 0.0 110.778 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.19 -31.48 71.91 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.273 -0.892 . . . . 0.0 110.992 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -61.73 -51.04 69.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.536 1.062 . . . . 0.0 109.253 171.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -57.96 -41.25 82.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.23 1.012 . . . . 0.0 111.555 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.07 -51.36 69.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.396 1.078 . . . . 0.0 110.4 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.2 72.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.915 0.486 . . . . 0.0 111.866 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -77.87 0.13 25.18 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.823 1.249 . . . . 0.0 112.656 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.58 32.26 64.66 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-O 118.608 -1.106 . . . . 0.0 113.087 170.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 62.9 158.89 0.07 Allowed 'General case' 0 C--N 1.344 0.362 0 C-N-CA 128.342 2.657 . . . . 0.0 115.0 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -145.68 10.8 1.24 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.612 0.765 . . . . 0.0 112.478 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 117.304 -1.332 . . . . 0.0 109.403 172.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.89 39.13 0.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.146 1.379 . . . . 0.0 112.173 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -69.19 13.91 0.1 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.112 1.765 . . . . 0.0 114.341 -172.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.7 t -63.12 -25.96 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.222 1.009 . . . . 0.0 109.351 170.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -146.7 -67.92 0.27 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.984 0.811 . . . . 0.0 112.597 169.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -119.73 16.15 12.72 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.516 1.053 . . . . 0.0 113.313 -169.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.0 t0 42.13 -118.18 0.43 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.343 1.857 . . . . 0.0 111.942 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.31 -22.31 63.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -169.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -60.15 -42.36 94.74 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.559 0.618 . . . . 0.0 110.295 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -81.42 -45.36 16.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.188 -175.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.28 -33.98 77.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.445 1.021 . . . . 0.0 111.932 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.47 -49.52 75.08 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 119.51 1.05 . . . . 0.0 109.764 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -59.44 -43.47 93.12 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.667 0.667 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.04 -54.69 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.21 -42.46 98.63 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.526 -173.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -100.58 -13.39 18.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.244 0.929 . . . . 0.0 113.209 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 -19.96 5.76 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.109 0.868 . . . . 0.0 112.698 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -116.47 -48.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.658 1.117 . . . . 0.0 110.283 -170.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 pt -115.73 11.83 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.064 0.847 . . . . 0.0 112.46 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.96 -35.34 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.363 1.065 . . . . 0.0 112.616 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.52 -8.34 47.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.113 0.965 . . . . 0.0 112.022 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 176.93 9.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.659 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -144.98 -44.44 0.23 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.929 0.892 . . . . 0.0 110.737 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -139.74 172.72 12.38 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.604 1.162 . . . . 0.0 109.075 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -37.63 26.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -169.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -69.79 -42.66 73.45 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -70.22 -35.79 74.11 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.333 0.653 . . . . 0.0 110.087 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -68.14 -41.64 81.36 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.698 -0.626 . . . . 0.0 109.328 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.72 91.13 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.774 0.43 . . . . 0.0 110.533 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -39.78 95.37 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.753 0.706 . . . . 0.0 111.73 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.59 62.67 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 119.195 0.907 . . . . 0.0 111.118 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -57.52 -49.02 77.68 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.969 0.507 . . . . 0.0 111.173 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.78 -47.31 86.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.647 0.779 . . . . 0.0 110.554 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -65.28 -43.46 91.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.583 0.629 . . . . 0.0 110.34 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.23 -45.75 86.81 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.008 0.367 . . . . 0.0 110.365 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.67 -44.27 82.27 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.781 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.5 -34.35 72.48 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.879 0.763 . . . . 0.0 111.898 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.4 -22.86 50.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.169 0.588 . . . . 0.0 112.56 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -100.23 -45.28 5.67 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.022 0.529 . . . . 0.0 112.168 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.17 125.9 27.84 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.869 0.867 . . . . 0.0 108.698 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -83.23 47.19 1.21 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.202 1.401 . . . . 0.0 110.232 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 29.7 p90 -64.65 159.0 64.94 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 121.287 -0.883 . . . . 0.0 110.644 175.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.46 144.78 64.53 Favored 'Cis proline' 0 C--N 1.349 0.59 0 CA-C-N 119.789 0.96 . . . . 0.0 110.721 -8.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.11 164.35 32.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -93.01 145.54 24.29 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.474 -0.766 . . . . 0.0 109.075 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.85 170.95 33.16 Favored Glycine 0 C--N 1.333 0.364 0 O-C-N 121.481 -0.762 . . . . 0.0 111.907 174.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -99.7 124.08 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -85.59 106.09 16.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.246 -2.502 . . . . 0.0 104.246 169.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -83.99 63.71 7.75 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -65.89 134.63 53.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -173.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -77.32 90.57 3.77 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 169.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -150.79 5.36 0.5 Allowed 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -62.88 160.95 13.62 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.257 0.935 . . . . 0.0 109.111 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -53.92 -35.57 61.83 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.485 0.584 . . . . 0.0 111.782 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.02 5.2 5.46 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.469 1.908 . . . . 0.0 113.808 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.2 m 56.09 49.06 16.33 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.455 1.502 . . . . 0.0 110.541 -170.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 p -128.25 179.2 5.75 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.504 1.522 . . . . 0.0 109.057 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.93 140.93 18.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 122.304 1.049 . . . . 0.0 108.345 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.87 141.43 48.41 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.112 2.565 . . . . 0.0 104.38 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -110.82 99.9 8.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -168.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -92.87 138.05 31.83 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 m -97.57 125.18 42.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -139.21 157.63 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 122.215 1.007 . . . . 0.0 110.611 -169.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -105.54 122.36 45.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.75 135.75 24.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -93.7 -25.21 17.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.937 0.495 . . . . 0.0 110.503 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.63 176.74 32.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 -178.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.7 mmm -61.46 148.57 41.42 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.07 166.89 11.08 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.21 0.604 . . . . 0.0 110.501 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.17 155.41 9.13 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.049 2.5 . . . . 0.0 112.834 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.01 -32.44 67.93 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.251 0.62 . . . . 0.0 111.613 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.6 -27.46 66.93 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.104 0.562 . . . . 0.0 112.054 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.05 -40.78 26.99 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 171.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.0 m -78.22 8.21 5.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.687 0.795 . . . . 0.0 112.834 -172.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -21.95 59.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.629 1.971 . . . . 0.0 111.168 -176.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -124.85 -27.54 3.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.391 0.677 . . . . 0.0 112.72 -172.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -160.41 162.18 33.21 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.93 130.17 35.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.474 1.034 . . . . 0.0 108.973 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -137.12 158.38 44.57 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.895 0.878 . . . . 0.0 110.331 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.22 141.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 125.701 1.6 . . . . 0.0 107.596 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.41 135.03 37.33 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.0 m -141.07 149.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.84 129.08 49.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.34 138.69 57.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.0 mt -105.07 -48.48 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.57 1.148 . . . . 0.0 108.855 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.9 -27.31 71.05 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 123.89 0.757 . . . . 0.0 113.285 -169.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.19 54.06 0.52 Allowed Glycine 0 CA--C 1.522 0.501 0 C-N-CA 126.789 2.137 . . . . 0.0 108.304 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -53.22 154.56 3.11 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.927 0.891 . . . . 0.0 111.946 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -132.76 21.52 4.22 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.889 1.276 . . . . 0.0 110.159 173.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 50.55 36.77 14.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.044 1.738 . . . . 0.0 111.824 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -139.02 164.11 30.62 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.721 1.609 . . . . 0.0 110.36 -172.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.0 p -129.33 155.4 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 126.067 1.747 . . . . 0.0 109.731 -169.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -142.02 -177.6 5.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.205 2.202 . . . . 0.0 108.346 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 m -129.84 136.89 50.09 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.52 48.06 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.256 1.423 . . . . 0.0 108.181 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -71.52 135.72 47.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 170.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.96 -28.52 67.72 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 169.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -61.55 -11.66 12.05 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.986 2.115 . . . . 0.0 113.815 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.7 16.81 4.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.573 1.149 . . . . 0.0 110.06 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.26 146.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -132.6 105.06 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.62 150.05 49.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 110.332 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.2 mt -118.75 132.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.45 39.49 9.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.028 1.731 . . . . 0.0 113.124 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 p -96.43 171.41 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.626 0.77 . . . . 0.0 110.434 -174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.13 159.11 26.9 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.055 0.931 . . . . 0.0 110.648 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.83 -41.07 95.05 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.379 1.071 . . . . 0.0 110.822 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -74.18 -28.98 61.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.365 0.529 . . . . 0.0 110.7 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.7 m -69.63 -47.45 63.39 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.23 -44.53 97.12 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.81 -44.33 94.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.34 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.04 99.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.251 0.932 . . . . 0.0 111.5 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.94 -50.47 74.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.69 82.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.194 0.598 . . . . 0.0 109.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.576 1.151 . . . . 0.0 111.364 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -66.3 -43.0 87.5 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.718 0.407 . . . . 0.0 110.654 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.07 -35.56 80.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.696 0.68 . . . . 0.0 111.277 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.93 -39.15 83.55 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 119.189 0.904 . . . . 0.0 110.864 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -63.01 -43.66 98.15 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.58 -49.83 69.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 109.966 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.47 -25.79 65.16 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.209 1.004 . . . . 0.0 112.982 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -67.35 -18.79 65.29 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 111.926 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.62 37.51 5.26 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -173.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -51.57 161.85 0.45 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.673 1.589 . . . . 0.0 113.451 173.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -139.0 -1.69 1.75 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.416 1.087 . . . . 0.0 111.846 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.496 1.919 . . . . 0.0 107.405 174.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.07 77.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.898 0.479 . . . . 0.0 111.541 -178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m 52.66 27.17 4.96 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.643 1.577 . . . . 0.0 114.006 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -76.77 -24.62 15.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.407 1.083 . . . . 0.0 112.012 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.66 146.08 54.87 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.355 0.525 . . . . 0.0 110.33 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -45.28 90.36 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.991 -0.443 . . . . 0.0 109.932 169.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -174.41 173.52 2.96 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 128.552 2.741 . . . . 0.0 105.093 -173.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.88 -3.37 1.14 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.828 1.251 . . . . 0.0 113.936 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -41.22 76.21 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.557 1.143 . . . . 0.0 110.677 172.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -67.16 -40.83 86.71 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.664 -0.648 . . . . 0.0 109.968 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.1 -38.89 92.7 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -62.77 -47.96 81.24 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.566 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -60.86 -44.35 97.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.646 1.112 . . . . 0.0 110.733 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.6 mt -52.75 -57.81 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.28 -36.84 82.39 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -98.66 -10.99 22.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -169.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.0 -18.84 0.5 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 mt -91.13 -47.5 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 120.987 1.721 . . . . 0.0 109.876 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.43 14.25 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.838 0.855 . . . . 0.0 112.165 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.87 -35.08 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.235 1.014 . . . . 0.0 112.739 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.98 -8.36 54.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.972 0.909 . . . . 0.0 112.152 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 173.85 11.15 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.292 0.637 . . . . 0.0 111.92 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.33 -45.53 0.15 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.091 0.956 . . . . 0.0 110.061 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -138.89 173.31 11.7 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.3 1.44 . . . . 0.0 108.82 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -44.72 -45.13 9.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.209 2.204 . . . . 0.0 115.009 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.6 -41.37 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -68.4 -33.66 74.63 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.217 0.607 . . . . 0.0 110.332 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.75 -44.51 77.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.56 93.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.243 0.474 . . . . 0.0 110.624 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.1 mmt -64.75 -36.41 84.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.331 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.46 -52.68 51.39 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -56.37 -48.2 77.32 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.57 0.348 . . . . 0.0 111.443 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -60.76 -48.98 79.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.922 0.489 . . . . 0.0 110.755 -176.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -66.97 -39.69 87.26 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.504 0.593 . . . . 0.0 110.585 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.57 -47.39 81.73 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.265 0.484 . . . . 0.0 110.312 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.96 -42.76 94.32 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 123.156 0.582 . . . . 0.0 109.635 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.6 -33.44 72.75 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.718 0.69 . . . . 0.0 111.71 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -80.44 -22.08 41.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.155 0.582 . . . . 0.0 112.448 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -100.91 -45.46 5.43 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.0 127.41 32.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.632 0.773 . . . . 0.0 109.354 -169.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.15 43.43 0.87 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.383 1.473 . . . . 0.0 110.378 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -63.44 158.0 60.99 Favored Pre-proline 0 CA--C 1.547 0.828 0 O-C-N 121.042 -1.036 . . . . 0.0 110.264 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -65.75 144.93 66.4 Favored 'Cis proline' 0 C--N 1.348 0.53 0 CA-C-N 119.845 0.98 . . . . 0.0 110.887 -7.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -146.98 161.38 40.91 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -84.67 147.05 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.02 169.63 33.13 Favored Glycine 0 N--CA 1.45 -0.383 0 O-C-N 121.41 -0.806 . . . . 0.0 111.652 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -97.44 128.92 44.63 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 169.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -89.08 106.85 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -80.83 76.12 7.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 169.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -80.63 151.19 29.14 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -60.89 148.91 37.94 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -53.29 149.23 7.55 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.967 1.307 . . . . 0.0 110.311 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.54 -24.98 66.45 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.06 0.944 . . . . 0.0 111.524 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -124.51 -12.62 7.21 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.2 p -141.4 175.4 9.69 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 119.632 1.105 . . . . 0.0 110.071 -170.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m -79.68 -9.49 59.65 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.981 0.912 . . . . 0.0 112.589 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.6 p -72.24 166.53 22.24 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.118 1.367 . . . . 0.0 110.892 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 mm -84.1 152.65 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 123.948 0.899 . . . . 0.0 108.726 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -136.45 105.98 6.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -76.29 134.56 39.73 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.258 0.623 . . . . 0.0 109.965 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -126.79 154.31 44.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.4 m -104.71 125.75 51.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.32 160.36 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.843 0.83 . . . . 0.0 110.323 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -108.89 120.04 41.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -79.66 136.96 22.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.08 -25.47 15.88 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.748 0.419 . . . . 0.0 111.033 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.74 171.9 28.43 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 108.743 -1.743 . . . . 0.0 108.743 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.2 mtp -66.09 152.43 44.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.87 164.22 18.18 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 123.409 0.684 . . . . 0.0 110.072 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -64.31 160.85 36.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.077 1.851 . . . . 0.0 111.589 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -26.77 49.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.906 1.282 . . . . 0.0 113.288 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.5 -31.37 72.51 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.759 0.824 . . . . 0.0 111.747 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -82.41 -46.99 12.8 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.2 m -69.84 12.12 0.23 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -169.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.95 -7.52 57.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.611 1.564 . . . . 0.0 111.398 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -118.89 -34.26 3.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.115 0.966 . . . . 0.0 112.733 -169.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -163.5 174.31 12.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 128.023 2.529 . . . . 0.0 104.25 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.4 mmt -88.74 138.41 31.45 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 169.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -139.37 158.31 44.37 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.986 -174.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 m -142.38 142.49 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.579 1.551 . . . . 0.0 108.18 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -80.09 135.85 36.42 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.14 148.61 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 123.218 0.607 . . . . 0.0 109.914 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.47 132.06 55.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -85.21 90.36 7.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -169.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt -49.99 112.02 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.274 1.43 . . . . 0.0 108.953 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.69 -24.9 3.56 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.795 1.188 . . . . 0.0 113.222 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.83 -36.75 31.7 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-N 118.462 1.131 . . . . 0.0 110.972 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -134.6 -37.8 0.83 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.676 1.19 . . . . 0.0 110.118 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.1 t70 61.02 -20.38 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 128.911 2.884 . . . . 0.0 116.455 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -139.84 22.33 2.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.444 1.498 . . . . 0.0 110.984 -171.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -143.18 162.45 35.56 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.993 1.717 . . . . 0.0 108.486 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.63 151.67 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.316 1.047 . . . . 0.0 110.793 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -133.68 -177.42 4.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.608 2.363 . . . . 0.0 108.271 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -127.58 139.72 52.58 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.18 157.99 40.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 107.532 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -76.51 142.87 40.75 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.985 -1.858 . . . . 0.0 105.985 169.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.0 -30.01 70.04 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 168.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -58.37 -18.65 29.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.827 2.051 . . . . 0.0 113.733 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.95 6.26 19.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.262 1.425 . . . . 0.0 110.344 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.5 mm -112.36 146.17 17.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.779 -1.201 . . . . 0.0 108.661 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -130.54 102.58 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 150.39 48.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 0.0 110.653 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -122.32 133.17 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 49.93 41.84 23.47 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.837 1.655 . . . . 0.0 113.468 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.71 174.25 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.488 0.715 . . . . 0.0 110.817 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.17 163.35 26.54 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.74 0.781 . . . . 0.0 110.3 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.4 -37.96 82.45 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.965 1.306 . . . . 0.0 110.839 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -72.24 -32.67 66.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.031 0.832 . . . . 0.0 111.0 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.7 m -69.77 -48.65 58.46 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -64.57 -33.98 77.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.197 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.44 -48.06 76.75 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 123.953 0.901 . . . . 0.0 110.539 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.17 86.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.522 0.601 . . . . 0.0 110.765 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.62 -52.54 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.79 89.17 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.352 0.524 . . . . 0.0 110.31 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.51 -39.22 90.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.329 1.052 . . . . 0.0 110.793 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -65.05 -44.43 89.05 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.028 0.531 . . . . 0.0 110.502 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.5 -31.85 73.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.29 -35.8 63.74 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.814 1.188 . . . . 0.0 111.344 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -63.63 -41.63 98.23 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.417 -0.802 . . . . 0.0 110.159 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.34 -52.85 62.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.195 0.998 . . . . 0.0 110.47 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.47 59.16 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.33 1.052 . . . . 0.0 112.516 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -5.16 11.27 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 171.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.07 35.2 57.77 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 107.936 -2.066 . . . . 0.0 107.936 -168.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 52.71 163.71 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 129.636 3.174 . . . . 0.0 115.691 -169.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -127.5 1.48 6.24 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.204 172.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 C--O 1.251 1.142 0 C-N-CA 124.694 1.198 . . . . 0.0 110.498 171.42 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttm . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.0 170.94 5.99 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.274 0.63 . . . . 0.0 111.522 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -124.92 35.99 4.68 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.61 1.564 . . . . 0.0 109.041 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.1 p -68.01 -14.81 18.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 126.676 1.99 . . . . 0.0 112.691 -172.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.89 138.07 30.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.36 1.064 . . . . 0.0 111.796 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.97 -44.96 94.12 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.001 0.52 . . . . 0.0 109.635 169.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -171.41 164.88 7.05 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 127.855 2.462 . . . . 0.0 106.026 -173.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -54.91 -18.08 4.49 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.769 0.828 . . . . 0.0 113.095 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.8 m -46.94 -40.03 13.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.162 1.385 . . . . 0.0 110.941 169.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.1 -51.75 68.27 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.944 0.793 . . . . 0.0 109.694 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.01 -43.15 99.31 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 123.262 0.625 . . . . 0.0 110.173 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -60.79 -47.56 85.77 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.655 0.782 . . . . 0.0 110.958 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -66.76 -42.75 85.61 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.778 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -56.4 -54.85 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 119.538 1.063 . . . . 0.0 108.502 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.16 -38.38 88.82 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.092 0.957 . . . . 0.0 112.17 -172.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.1 p -105.64 -3.72 21.91 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -135.85 -19.5 1.56 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.015 0.825 . . . . 0.0 112.985 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt -117.09 -49.91 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.347 0.976 . . . . 0.0 109.566 -172.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -116.27 13.84 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.617 0.767 . . . . 0.0 111.917 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.2 -35.63 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.532 1.133 . . . . 0.0 112.532 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.17 -14.71 46.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.215 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.58 168.45 15.35 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.89 0.876 . . . . 0.0 111.584 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -147.86 -37.79 0.19 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.921 0.888 . . . . 0.0 109.978 169.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -114.11 170.17 8.48 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.455 1.025 . . . . 0.0 110.099 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -55.88 -42.08 75.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.569 1.147 . . . . 0.0 112.008 -169.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.6 -41.42 79.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.594 0.757 . . . . 0.0 110.389 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -62.27 -45.43 93.3 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.94 93.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -62.41 -37.67 86.71 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 118.648 -0.692 . . . . 0.0 112.212 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.42 67.89 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.356 0.98 . . . . 0.0 110.75 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -57.33 -46.4 83.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.731 0.413 . . . . 0.0 111.013 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -61.99 -48.28 81.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.88 0.872 . . . . 0.0 111.079 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -63.41 -42.78 98.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.558 0.617 . . . . 0.0 110.071 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.44 -46.58 82.54 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.658 0.208 . . . . 0.0 110.572 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.57 -43.77 84.07 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.927 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.63 -33.6 71.73 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.647 0.658 . . . . 0.0 111.946 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.92 -22.65 45.5 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -100.64 -45.48 5.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.5 mt -67.69 127.39 32.6 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.54 46.45 1.3 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 110.24 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 24.5 p90 -64.86 160.76 52.36 Favored Pre-proline 0 CA--C 1.546 0.805 0 O-C-N 121.245 -0.909 . . . . 0.0 111.003 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.57 142.02 24.18 Favored 'Cis proline' 0 C--N 1.35 0.643 0 CA-C-N 119.903 1.001 . . . . 0.0 111.52 -10.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -144.45 160.58 40.84 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 118.318 0.508 . . . . 0.0 109.827 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ttt -88.93 145.53 25.47 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.535 -0.728 . . . . 0.0 109.089 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.4 171.23 33.5 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 121.567 -0.708 . . . . 0.0 111.351 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -99.81 122.51 42.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.08 108.29 14.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 102.463 -3.162 . . . . 0.0 102.463 168.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -90.07 64.33 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -57.93 131.89 51.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.492 -169.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -56.09 126.28 25.29 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.1 t -61.86 148.86 41.99 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.382 0.61 . . . . 0.0 110.654 -171.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -45.67 107.42 0.1 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.493 1.517 . . . . 0.0 109.948 174.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttt 44.19 32.74 0.71 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.589 1.956 . . . . 0.0 113.602 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -144.48 147.99 33.98 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 m -72.66 -7.86 52.47 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.348 1.059 . . . . 0.0 113.703 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 p -72.11 175.49 5.94 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.142 1.377 . . . . 0.0 110.375 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mp -114.09 128.73 70.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.79 98.27 11.51 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.68 131.34 45.41 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 121.416 -0.802 . . . . 0.0 108.979 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -137.05 135.82 37.87 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -93.64 126.29 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 m -139.17 156.32 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 122.131 0.967 . . . . 0.0 110.882 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -105.53 117.45 34.04 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -78.27 138.8 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.88 -24.12 14.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.041 0.536 . . . . 0.0 110.997 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.05 173.38 30.64 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 91.7 mmm -62.31 147.71 47.33 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 169.16 9.23 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.519 0.728 . . . . 0.0 110.373 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -52.49 155.46 9.91 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.078 2.519 . . . . 0.0 113.282 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.99 -29.13 65.01 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.808 0.843 . . . . 0.0 111.858 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.24 -29.88 70.71 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.266 0.626 . . . . 0.0 111.651 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -79.92 -47.04 15.68 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 171.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.2 m -71.52 13.48 0.25 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.35 -9.77 57.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.468 1.507 . . . . 0.0 111.797 170.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.75 -38.03 3.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.802 0.841 . . . . 0.0 112.164 -169.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -155.64 175.22 14.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -87.45 134.3 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -134.35 156.37 48.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 109.775 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.76 141.03 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 125.594 1.558 . . . . 0.0 107.692 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.87 135.68 37.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 169.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.41 150.61 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 123.347 0.659 . . . . 0.0 109.694 -175.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.05 140.38 51.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -71.96 127.61 33.11 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.791 0.436 . . . . 0.0 110.79 -176.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.9 mt -84.69 -23.47 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 0.0 109.352 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.63 -43.31 91.29 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.148 0.88 . . . . 0.0 112.561 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.22 -25.29 0.05 OUTLIER Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.05 -0.861 . . . . 0.0 114.476 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -82.49 36.61 0.48 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.444 1.622 . . . . 0.0 111.176 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.6 -22.15 63.44 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.128 1.371 . . . . 0.0 111.94 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.86 -11.42 27.32 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.448 1.499 . . . . 0.0 113.095 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -134.89 163.56 29.55 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.718 1.207 . . . . 0.0 110.107 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.0 t -137.52 152.5 27.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.133 1.373 . . . . 0.0 107.493 -170.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -138.62 179.72 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.491 1.916 . . . . 0.0 108.778 -169.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.8 m -129.35 138.58 51.62 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.88 154.44 49.2 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.331 1.452 . . . . 0.0 107.556 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -72.43 143.04 48.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.93 -29.49 69.65 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 168.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 m -60.88 -13.49 16.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.57 1.948 . . . . 0.0 113.734 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.43 6.0 18.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.23 1.412 . . . . 0.0 110.497 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.54 151.29 20.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.665 1.586 . . . . 0.0 108.776 -169.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -133.2 111.43 10.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.76 50.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.068 0.461 . . . . 0.0 110.012 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.8 mt -118.42 132.41 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.02 39.65 8.12 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.044 1.737 . . . . 0.0 112.994 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.28 170.82 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.606 0.762 . . . . 0.0 110.492 -172.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -66.15 159.33 26.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 122.19 0.995 . . . . 0.0 110.554 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.672 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.05 -29.44 61.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 0.513 . . . . 0.0 110.632 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.1 m -67.43 -49.74 62.41 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.79 -35.02 79.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.97 -0.538 . . . . 0.0 111.243 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.49 -43.09 86.32 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.811 0.732 . . . . 0.0 110.897 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.49 96.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.925 0.784 . . . . 0.0 110.961 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mt -62.97 -50.49 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.4 91.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.505 0.593 . . . . 0.0 110.368 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.33 -38.74 92.09 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.197 0.599 . . . . 0.0 111.888 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.88 -40.52 95.24 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.443 0.297 . . . . 0.0 110.554 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.0 mt -66.76 -35.39 79.98 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.892 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.94 -46.84 89.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.462 1.028 . . . . 0.0 109.629 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -61.91 -42.98 99.71 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.026 -0.421 . . . . 0.0 111.211 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.02 -46.51 88.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.402 0.681 . . . . 0.0 109.91 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.48 -16.55 63.48 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.746 0.818 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -61.91 -36.39 81.17 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 118.726 0.694 . . . . 0.0 112.282 -171.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 130.74 -4.92 5.8 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.055 -0.859 . . . . 0.0 111.463 -169.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 59.91 -148.61 0.45 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.14 1.376 . . . . 0.0 114.01 169.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 44.2 mttp 69.2 19.44 7.89 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 127.871 2.469 . . . . 0.0 113.204 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 . . . . . 0 C--O 1.25 1.097 0 C-N-CA 126.888 2.075 . . . . 0.0 111.485 178.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.4 -28.59 65.34 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.553 0.741 . . . . 0.0 112.998 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m 56.82 27.29 12.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.725 1.21 . . . . 0.0 113.265 172.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.56 106.45 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.246 1.019 . . . . 0.0 108.532 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.89 -23.57 64.21 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.386 0.674 . . . . 0.0 112.248 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -76.53 6.79 5.25 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.294 1.038 . . . . 0.0 112.116 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -51.21 -45.55 61.91 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.227 0.921 . . . . 0.0 112.673 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -68.51 -41.8 79.47 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 121.922 -0.486 . . . . 0.0 111.231 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 m -55.37 -40.44 71.3 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.618 1.167 . . . . 0.0 109.717 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -81.99 -44.54 16.54 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 117.571 -1.204 . . . . 0.0 110.725 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.94 -42.41 72.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.513 1.051 . . . . 0.0 110.212 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -61.75 2.29 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.419 174.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -62.43 -39.25 92.71 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.739 0.7 . . . . 0.0 111.604 -169.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.88 -53.05 52.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.01 -41.18 96.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.61 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.9 p -94.88 -6.94 41.53 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -139.24 -19.57 0.97 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.3 mt -117.49 -44.1 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 119.565 1.075 . . . . 0.0 109.817 -170.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 pt -118.28 14.28 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.594 0.758 . . . . 0.0 111.747 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.32 -35.2 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.431 1.092 . . . . 0.0 112.187 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -89.06 -10.47 47.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.932 0.893 . . . . 0.0 112.08 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 171.67 14.86 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.715 0.806 . . . . 0.0 111.664 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -138.79 -41.88 0.48 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.089 0.955 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -141.74 172.46 12.66 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 109.303 -175.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -38.67 20.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -169.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.18 -44.19 69.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -68.11 -34.79 77.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.018 0.527 . . . . 0.0 110.176 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -68.89 -42.17 77.29 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.56 93.56 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.102 0.41 . . . . 0.0 110.151 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -63.63 -38.21 90.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.968 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.25 -50.87 61.18 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 119.182 0.901 . . . . 0.0 111.013 175.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -57.55 -49.28 76.89 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.01 0.405 . . . . 0.0 111.167 174.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -60.04 -47.43 85.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.752 0.821 . . . . 0.0 110.9 -174.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.81 -43.96 87.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.305 0.502 . . . . 0.0 110.139 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -63.29 -45.1 92.98 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.663 0.385 . . . . 0.0 110.47 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.73 -46.07 76.65 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.855 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.05 -33.68 72.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.017 0.826 . . . . 0.0 112.027 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -75.98 -25.58 55.94 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.141 0.577 . . . . 0.0 112.379 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.1 m -96.83 -46.84 6.09 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.197 0.453 . . . . 0.0 111.636 -170.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.12 121.92 16.25 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -83.93 63.36 7.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.965 0.906 . . . . 0.0 109.971 -174.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -61.54 157.29 47.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.026 0.93 . . . . 0.0 112.36 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.89 151.54 95.83 Favored 'Cis proline' 0 C--N 1.349 0.559 0 N-CA-C 108.893 -1.234 . . . . 0.0 108.893 -10.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -141.43 158.35 43.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.433 0.561 . . . . 0.0 110.78 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.24 144.37 26.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.54 169.22 32.82 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -96.93 126.38 42.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.79 103.01 12.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 104.211 -2.514 . . . . 0.0 104.211 169.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -96.05 65.97 2.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.11 132.08 50.68 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.744 -173.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.1 141.82 33.09 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 169.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 t -52.93 149.33 6.55 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.169 0.985 . . . . 0.0 110.528 176.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -64.47 -17.52 63.92 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.051 0.94 . . . . 0.0 112.022 174.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -133.65 -17.7 2.22 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -169.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -143.64 176.48 9.18 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.567 1.076 . . . . 0.0 110.625 -169.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 p -74.36 -1.16 19.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.506 1.522 . . . . 0.0 113.157 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.8 p -72.23 -178.78 2.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.452 1.501 . . . . 0.0 110.869 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mm -129.25 136.54 59.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -171.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.16 151.24 27.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 169.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -128.54 137.07 51.56 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.356 -0.84 . . . . 0.0 111.411 -169.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -136.11 142.78 44.31 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 168.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -95.51 126.61 40.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.34 156.37 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 122.26 1.029 . . . . 0.0 111.622 -169.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -105.73 117.84 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 169.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -82.88 142.03 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.45 -22.04 13.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.241 0.616 . . . . 0.0 111.602 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.65 175.64 31.88 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -63.5 153.1 36.61 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 169.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.67 169.36 6.55 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 122.948 0.499 . . . . 0.0 109.823 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.56 154.3 9.22 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.715 2.277 . . . . 0.0 112.592 170.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.52 -29.08 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.672 0.789 . . . . 0.0 111.999 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.84 -32.14 73.3 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.602 0.761 . . . . 0.0 111.906 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.43 -43.98 16.62 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 173.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.2 m -72.95 7.47 2.03 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.74 -12.35 51.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.569 1.548 . . . . 0.0 111.602 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -115.95 -38.84 3.56 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.573 0.749 . . . . 0.0 111.474 -169.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -159.76 172.77 17.09 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -82.47 136.33 34.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 121.064 1.756 . . . . 0.0 108.45 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -140.2 156.87 46.33 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.064 0.946 . . . . 0.0 109.75 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.8 m -140.2 142.76 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 125.503 1.521 . . . . 0.0 108.17 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.91 135.75 37.08 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.88 151.06 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.201 0.601 . . . . 0.0 110.057 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.92 139.79 52.8 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.52 127.51 32.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 122.883 0.473 . . . . 0.0 110.823 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.6 mt -84.44 -24.0 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 123.436 0.695 . . . . 0.0 109.38 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.24 -43.27 89.26 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.201 0.905 . . . . 0.0 112.529 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.34 -24.45 0.05 OUTLIER Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.14 -0.811 . . . . 0.0 114.374 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -82.79 36.01 0.48 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.459 1.63 . . . . 0.0 111.169 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.42 -21.75 62.61 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.325 1.45 . . . . 0.0 112.058 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.03 -12.02 23.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.404 1.481 . . . . 0.0 113.141 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -135.51 164.3 28.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.714 1.206 . . . . 0.0 110.123 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.9 t -136.24 151.84 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.272 1.429 . . . . 0.0 107.207 -171.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -137.89 179.82 6.2 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 126.438 1.895 . . . . 0.0 109.008 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 m -129.08 136.3 50.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 171.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.75 149.91 49.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 107.683 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -68.32 137.23 54.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 169.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.92 -27.97 68.59 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 169.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -60.88 -13.57 16.57 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.362 2.265 . . . . 0.0 113.243 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.38 11.89 8.72 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.578 1.551 . . . . 0.0 109.168 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.3 147.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 O-C-N 120.779 -1.2 . . . . 0.0 107.942 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -136.29 116.18 13.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.25 152.46 45.02 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.453 0.644 . . . . 0.0 110.259 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.48 131.49 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.35 37.92 9.53 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.292 1.837 . . . . 0.0 113.483 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.21 169.72 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 121.748 -0.595 . . . . 0.0 110.882 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.37 159.19 35.0 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 111.117 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.35 -37.35 72.44 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.799 0.84 . . . . 0.0 113.117 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.05 -39.16 56.15 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.373 0.988 . . . . 0.0 110.417 -174.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.5 m -60.38 -46.87 88.43 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.669 0.788 . . . . 0.0 109.412 170.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.0 -45.1 95.09 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.93 -41.08 97.53 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 118.97 0.804 . . . . 0.0 111.561 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.42 97.51 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.857 0.753 . . . . 0.0 111.383 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.21 -49.86 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.75 80.21 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.453 0.701 . . . . 0.0 109.841 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.34 -43.7 96.2 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.996 0.919 . . . . 0.0 112.08 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.77 -0.581 . . . . 0.0 110.165 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.63 -33.95 73.36 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.634 0.652 . . . . 0.0 111.449 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.92 -46.79 87.78 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 119.326 0.966 . . . . 0.0 109.792 173.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -63.86 -41.89 97.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.717 0.807 . . . . 0.0 109.253 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.19 -51.22 68.83 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.523 0.729 . . . . 0.0 109.58 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -25.66 68.07 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.971 1.308 . . . . 0.0 112.669 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 -72.63 -5.58 38.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.793 0.837 . . . . 0.0 113.135 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.88 39.21 17.55 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -50.51 164.45 0.13 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.346 1.858 . . . . 0.0 114.516 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -127.32 -14.43 5.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.961 1.304 . . . . 0.0 112.115 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.628 1.571 . . . . 0.0 108.421 -175.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttm . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.51 146.9 26.22 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.271 1.029 . . . . 0.0 108.388 172.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -75.65 17.79 0.28 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.044 1.338 . . . . 0.0 113.003 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.43 -22.96 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 126.086 1.754 . . . . 0.0 111.628 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.55 149.07 18.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.008 1.323 . . . . 0.0 111.609 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -60.93 -44.64 96.94 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -173.3 165.68 4.79 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 127.607 2.363 . . . . 0.0 106.212 -171.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.21 -18.12 5.47 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.015 0.926 . . . . 0.0 112.939 173.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.1 m -47.18 -38.1 11.29 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.122 1.369 . . . . 0.0 110.879 168.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -64.36 -50.01 69.42 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.21 0.914 . . . . 0.0 110.498 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.65 -42.43 88.33 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.306 0.642 . . . . 0.0 109.58 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -64.94 -47.79 76.4 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.066 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -60.89 -41.4 95.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.432 1.015 . . . . 0.0 110.541 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt -56.1 -60.11 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.67 -34.93 78.95 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -170.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.6 p -107.55 2.24 23.93 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.17 -46.96 0.26 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.766 0.712 . . . . 0.0 112.566 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt -78.41 -45.98 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.46 1.027 . . . . 0.0 110.143 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.8 pt -122.41 14.01 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 112.011 -175.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.1 -34.99 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 O-C-N 121.439 -0.788 . . . . 0.0 112.172 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.31 -13.75 58.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.237 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.94 175.25 10.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.846 0.859 . . . . 0.0 111.817 -175.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -149.0 -47.24 0.14 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.229 1.011 . . . . 0.0 109.295 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -123.62 173.07 8.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.327 1.051 . . . . 0.0 109.442 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -52.11 -44.11 64.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.713 1.205 . . . . 0.0 113.348 -168.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.13 -39.31 82.74 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -70.26 -35.49 73.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.308 0.643 . . . . 0.0 110.327 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -66.46 -42.79 87.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.131 0.878 . . . . 0.0 109.57 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.77 94.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.589 0.355 . . . . 0.0 110.786 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.9 mmt -65.92 -35.7 81.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.753 -0.642 . . . . 0.0 112.326 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.95 59.95 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -57.7 -48.53 79.3 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 118.875 -0.584 . . . . 0.0 111.488 172.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.43 -53.56 56.77 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.843 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -72.51 -32.9 66.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.873 -0.584 . . . . 0.0 111.117 -174.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.03 -46.93 86.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.001 0.819 . . . . 0.0 110.092 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.39 -43.17 82.01 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.72 -32.85 70.91 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.831 0.741 . . . . 0.0 111.957 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.08 -22.08 39.48 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.7 m -100.36 -46.04 5.38 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.815 -0.553 . . . . 0.0 112.098 -169.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.36 123.18 20.52 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -170.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.56 51.57 2.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.607 0.763 . . . . 0.0 109.966 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -62.79 156.93 62.87 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 121.816 -0.552 . . . . 0.0 111.204 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -68.1 145.16 74.88 Favored 'Cis proline' 0 CA--C 1.536 0.583 0 CA-C-N 119.356 0.806 . . . . 0.0 111.473 -5.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -146.91 160.53 42.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.348 1.059 . . . . 0.0 108.969 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.44 143.64 26.86 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.143 -0.973 . . . . 0.0 109.411 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.97 167.9 31.76 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 119.407 1.003 . . . . 0.0 111.348 171.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -96.1 127.35 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.99 102.09 12.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -89.78 66.23 7.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -63.56 132.18 50.41 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -173.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -59.75 139.78 57.01 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 119.853 1.206 . . . . 0.0 109.092 169.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.4 m -59.47 161.43 5.82 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 122.165 0.983 . . . . 0.0 112.299 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -56.6 -32.74 65.56 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.201 1.4 . . . . 0.0 113.465 -169.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -145.04 -45.51 0.23 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.599 0.76 . . . . 0.0 110.133 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -58.25 153.84 14.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.689 1.196 . . . . 0.0 110.199 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -70.73 -5.78 32.49 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 p -72.32 -170.84 0.68 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.301 2.241 . . . . 0.0 112.524 -171.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.9 mm -125.89 140.89 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.698 1.599 . . . . 0.0 107.306 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -112.24 153.06 27.7 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 169.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -128.24 127.04 42.09 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.24 -0.912 . . . . 0.0 109.598 -172.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -131.46 147.84 52.59 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -99.66 131.69 45.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.8 m -142.36 156.9 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 122.276 1.036 . . . . 0.0 110.911 -169.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.79 114.09 27.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 t -76.22 124.5 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.32 -31.99 12.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.208 0.603 . . . . 0.0 111.994 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.33 171.79 33.77 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.9 mmm -64.37 145.97 55.2 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.73 167.41 16.53 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.58 142.57 23.75 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.565 2.177 . . . . 0.0 112.739 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -59.33 -27.95 66.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.531 0.732 . . . . 0.0 111.438 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -62.05 -24.78 67.29 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -91.42 -24.09 19.83 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.889 -0.507 . . . . 0.0 110.776 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -83.63 24.81 0.83 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.963 0.905 . . . . 0.0 113.403 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -16.17 53.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.851 0.861 . . . . 0.0 112.969 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -130.16 -26.87 2.31 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -169.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.7 140.44 32.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 171.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -134.64 153.15 52.11 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.271 0.628 . . . . 0.0 109.513 -177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.36 141.86 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.671 1.188 . . . . 0.0 108.543 -174.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.99 140.2 38.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 171.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.9 m -142.62 151.45 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 122.996 0.518 . . . . 0.0 110.17 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.5 139.68 53.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.04 140.41 52.82 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.858 0.463 . . . . 0.0 111.861 -175.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 mt -117.39 55.8 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.48 . . . . 0.0 108.856 172.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -139.8 -42.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.393 0.997 . . . . 0.0 111.106 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.88 8.04 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.467 -1.185 . . . . 0.0 115.652 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -121.14 27.3 8.48 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.597 1.698 . . . . 0.0 110.495 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.97 -24.14 36.61 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.537 1.535 . . . . 0.0 112.538 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.05 -12.34 25.76 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.3 1.44 . . . . 0.0 113.217 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -135.5 166.31 23.49 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.823 1.249 . . . . 0.0 110.292 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 66.5 t -134.02 149.91 30.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 125.583 1.553 . . . . 0.0 107.538 -171.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -135.92 179.14 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.407 1.883 . . . . 0.0 108.47 -172.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.42 137.12 50.72 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.96 155.06 43.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.18 1.392 . . . . 0.0 107.937 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.61 142.79 42.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.33 -28.65 69.36 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -57.9 -16.53 12.32 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.989 1.716 . . . . 0.0 114.286 171.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -119.65 10.94 11.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.031 1.332 . . . . 0.0 109.671 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -114.96 149.08 17.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 120.533 -1.354 . . . . 0.0 108.382 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 156.02 39.62 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.657 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -122.66 131.05 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.8 37.11 9.17 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.101 1.76 . . . . 0.0 113.541 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -93.96 173.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.383 0.673 . . . . 0.0 110.641 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.7 159.95 26.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 122.14 0.972 . . . . 0.0 110.565 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.44 -39.46 90.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.934 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -74.9 -34.34 62.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.505 0.593 . . . . 0.0 110.806 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 65.2 m -64.85 -48.72 73.31 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -65.97 -36.01 82.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.49 -176.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.83 -42.59 94.84 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 119.004 0.82 . . . . 0.0 111.18 176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.49 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.202 0.455 . . . . 0.0 110.607 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.53 -51.06 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.31 -49.91 74.61 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.157 0.583 . . . . 0.0 110.129 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.28 -31.44 72.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -68.27 -43.94 76.68 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.813 -0.555 . . . . 0.0 110.4 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.86 -36.61 84.9 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.371 -0.83 . . . . 0.0 110.168 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -66.3 -36.0 81.81 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.438 -0.789 . . . . 0.0 110.39 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -67.43 -41.76 84.28 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.351 -1.468 . . . . 0.0 110.098 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.99 -50.4 72.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.182 0.993 . . . . 0.0 109.802 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.74 68.53 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -73.53 -17.62 61.19 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.62 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.26 34.93 15.9 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-O 118.573 -1.126 . . . . 0.0 111.509 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 60.06 179.26 0.09 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.978 2.111 . . . . 0.0 114.357 169.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -130.6 6.64 4.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.555 1.542 . . . . 0.0 110.427 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 C--O 1.248 0.999 0 C-N-CA 124.77 1.228 . . . . 0.0 108.839 169.257 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 tpp . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 119.092 -0.48 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.08 56.42 4.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.594 1.958 . . . . 0.0 113.505 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -75.37 24.98 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.623 1.569 . . . . 0.0 112.809 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -65.79 -19.39 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 126.065 1.746 . . . . 0.0 113.6 -175.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -62.99 148.02 48.87 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.655 1.116 . . . . 0.0 110.619 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -65.59 -43.2 90.45 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -165.22 165.56 19.55 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.189 2.196 . . . . 0.0 106.04 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.1 -24.45 58.71 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.847 1.203 . . . . 0.0 112.258 172.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 m -55.24 -34.64 64.18 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.482 -0.761 . . . . 0.0 111.39 170.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -64.82 -45.22 87.11 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.71 1.141 . . . . 0.0 109.414 176.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.77 -39.71 89.81 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.659 0.383 . . . . 0.0 110.657 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -65.24 -38.82 91.57 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.071 0.396 . . . . 0.0 111.137 175.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.12 -39.12 82.83 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.85 -1.156 . . . . 0.0 111.14 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.34 -52.59 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 171.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.05 -32.31 69.64 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.02 1.328 . . . . 0.0 112.313 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -105.93 7.43 32.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 112.751 -172.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.83 -50.22 0.4 Allowed 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.897 0.771 . . . . 0.0 111.893 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 mt -80.92 -46.66 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.0 pt -120.4 12.28 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 123.338 0.655 . . . . 0.0 112.354 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.94 -34.16 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 123.866 0.866 . . . . 0.0 112.117 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -88.83 -9.29 52.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.957 0.903 . . . . 0.0 112.127 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.69 172.34 13.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.385 0.674 . . . . 0.0 111.722 -175.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -152.58 -40.3 0.1 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.339 1.055 . . . . 0.0 110.186 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.35 173.01 11.72 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.95 1.3 . . . . 0.0 108.653 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.96 -39.52 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 125.863 1.665 . . . . 0.0 113.368 -172.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 -42.02 85.54 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -69.45 -35.27 75.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.969 -0.457 . . . . 0.0 110.352 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -67.14 -41.91 85.3 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.013 0.824 . . . . 0.0 109.971 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.51 97.79 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.461 0.573 . . . . 0.0 110.209 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -64.2 -38.65 91.81 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.686 -0.674 . . . . 0.0 112.296 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.83 62.0 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.234 0.924 . . . . 0.0 110.816 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.24 -47.35 85.69 Favored 'General case' 0 C--O 1.231 0.114 0 O-C-N 122.652 -0.322 . . . . 0.0 111.476 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.76 -48.96 79.6 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.524 0.73 . . . . 0.0 110.848 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.39 -41.9 93.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.18 0.445 . . . . 0.0 110.182 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.63 -46.6 84.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.026 0.375 . . . . 0.0 110.588 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.21 -44.72 87.38 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.01 0.524 . . . . 0.0 109.877 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.67 -33.3 71.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.413 0.551 . . . . 0.0 111.968 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.18 -22.35 45.09 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -100.44 -46.87 5.09 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.956 0.502 . . . . 0.0 112.336 -169.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.66 131.18 45.1 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -78.2 24.09 0.26 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.4 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 23.6 p90 -52.44 155.73 3.49 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.28 1.032 . . . . 0.0 113.434 -169.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.53 141.85 17.82 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.562 0.879 . . . . 0.0 113.158 -9.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.57 153.73 42.11 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.3 ttt -84.79 145.44 27.88 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.6 -0.688 . . . . 0.0 109.367 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.77 172.88 34.47 Favored Glycine 0 N--CA 1.45 -0.419 0 O-C-N 121.463 -0.773 . . . . 0.0 112.04 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -102.48 124.51 48.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 169.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -81.48 106.69 13.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 169.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -93.14 64.34 3.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -52.97 110.53 0.54 Allowed 'General case' 0 N--CA 1.46 0.073 0 C-N-CA 123.984 0.914 . . . . 0.0 109.018 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -84.79 -17.34 38.46 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.722 0.809 . . . . 0.0 110.955 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.0 m -77.35 -2.08 33.21 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -176.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -64.85 137.02 57.51 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.991 1.268 . . . . 0.0 107.595 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt 45.44 38.24 3.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.254 1.022 . . . . 0.0 111.064 -169.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.3 m 66.58 -36.01 0.25 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.815 2.446 . . . . 0.0 114.388 -175.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 m -149.93 33.84 0.67 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.452 1.478 . . . . 0.0 114.205 -169.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 77.4 p -128.36 142.45 51.12 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.867 1.212 . . . . 0.0 109.952 176.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -71.37 139.85 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -136.5 139.78 42.54 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -112.16 132.02 55.13 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.731 0.413 . . . . 0.0 109.966 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.8 120.24 14.94 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -75.97 131.77 39.79 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.0 156.99 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 122.323 1.058 . . . . 0.0 111.023 -171.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -101.97 115.67 31.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.401 -2.815 . . . . 0.0 103.401 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -75.54 134.67 28.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 169.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -99.59 -19.38 16.88 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.35 0.66 . . . . 0.0 111.225 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.27 175.55 35.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -64.29 149.91 47.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.53 164.57 14.86 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.779 0.832 . . . . 0.0 110.764 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.92 151.87 68.48 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.132 1.888 . . . . 0.0 110.999 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.5 -28.29 59.45 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -169.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.18 -35.82 80.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.89 0.768 . . . . 0.0 111.241 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.78 -38.91 57.87 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.64 5.59 1.81 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.6 mt -91.57 -9.16 45.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.346 1.458 . . . . 0.0 111.322 169.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -115.37 -40.6 3.4 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.931 0.893 . . . . 0.0 111.133 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -158.69 173.52 16.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.703 2.401 . . . . 0.0 104.562 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.2 mmt -83.04 136.51 34.47 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 169.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.26 156.24 47.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.688 0.795 . . . . 0.0 109.768 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.7 142.21 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.406 1.482 . . . . 0.0 107.793 -176.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.6 135.19 38.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.99 148.04 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 123.262 0.625 . . . . 0.0 110.389 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.6 132.64 54.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.052 1.341 . . . . 0.0 107.807 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -81.36 89.55 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.44 1.096 . . . . 0.0 110.547 -172.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.9 mt -48.08 128.22 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 125.592 1.557 . . . . 0.0 109.795 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.8 12.13 64.12 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 118.767 -1.018 . . . . 0.0 114.459 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.32 -93.09 0.87 Allowed Glycine 0 C--N 1.336 0.569 0 N-CA-C 107.992 -2.043 . . . . 0.0 107.992 175.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -63.2 -42.51 99.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.796 0.798 . . . . 0.0 109.312 170.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t70 56.97 -16.98 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 130.448 3.499 . . . . 0.0 117.925 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -140.94 19.24 2.3 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.623 1.569 . . . . 0.0 110.746 -171.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -141.35 162.83 34.53 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.295 1.438 . . . . 0.0 108.326 173.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 p -132.72 151.74 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.466 1.106 . . . . 0.0 110.263 -169.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -138.58 -173.14 3.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.736 2.415 . . . . 0.0 107.751 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 m -129.45 139.29 51.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.24 152.34 48.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.596 1.558 . . . . 0.0 108.053 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.61 135.82 48.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.03 -28.11 69.36 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.2 m -63.31 -9.45 11.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.183 1.793 . . . . 0.0 113.469 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.17 11.69 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.429 1.492 . . . . 0.0 109.416 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -113.09 147.71 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 120.643 -1.286 . . . . 0.0 108.856 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -129.88 112.5 13.62 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.23 50.7 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.9 mt -115.83 132.26 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.35 39.96 9.88 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.019 1.727 . . . . 0.0 113.079 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.2 p -95.47 165.51 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.56 0.744 . . . . 0.0 110.383 -173.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.66 159.21 25.4 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 122.529 1.157 . . . . 0.0 110.929 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.9 -43.28 81.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.185 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -76.36 -30.97 57.79 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.682 0.674 . . . . 0.0 110.78 -174.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.8 m -66.45 -48.94 68.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -63.72 -39.19 93.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.051 -0.5 . . . . 0.0 111.039 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.36 -42.85 92.36 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 118.585 -0.722 . . . . 0.0 110.835 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.93 96.78 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.28 0.946 . . . . 0.0 111.249 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.77 -53.01 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.79 82.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.395 0.278 . . . . 0.0 110.725 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.97 -38.22 87.99 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.738 0.815 . . . . 0.0 112.038 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -63.42 -42.58 98.72 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.494 0.318 . . . . 0.0 110.193 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.11 -30.24 70.71 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.056 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -65.08 -47.71 76.29 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 120.037 1.29 . . . . 0.0 110.049 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -60.16 -40.02 88.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.227 0.611 . . . . 0.0 110.868 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.53 -51.5 67.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.565 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -25.53 67.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.755 0.822 . . . . 0.0 112.014 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -14.53 58.01 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.018 0.927 . . . . 0.0 113.227 174.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.95 34.05 53.64 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -169.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 56.63 169.95 0.03 OUTLIER 'General case' 0 C--N 1.345 0.404 0 C-N-CA 129.037 2.935 . . . . 0.0 116.685 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.4 3.52 3.62 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.428 168.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 C--O 1.252 1.202 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 169.674 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 mtt . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.01 133.25 55.93 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.366 0.667 . . . . 0.0 109.725 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -85.81 31.25 0.62 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.232 1.413 . . . . 0.0 111.247 -176.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -61.88 -29.05 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.006 1.722 . . . . 0.0 113.653 -172.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -64.03 152.89 39.02 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.809 0.844 . . . . 0.0 111.461 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -61.15 -49.04 78.86 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 169.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -164.66 175.51 9.7 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 128.076 2.55 . . . . 0.0 104.711 170.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.48 -7.44 0.92 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.24 1.016 . . . . 0.0 113.544 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -41.27 62.22 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.78 1.232 . . . . 0.0 110.877 170.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.488 HH21 ' HB2' ' A' ' 115' ' ' ASP . 24.4 mtp85 -67.91 -45.73 73.54 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.58 -38.27 90.49 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.281 0.491 . . . . 0.0 110.484 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -59.8 -47.04 87.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.312 0.645 . . . . 0.0 110.305 174.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -74.6 -29.37 61.28 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.6 1.091 . . . . 0.0 112.887 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt -58.32 -52.19 62.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 169.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.48 -41.88 92.84 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.199 0.6 . . . . 0.0 111.999 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 p -90.83 2.49 56.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -145.15 -64.21 0.34 Allowed 'General case' 0 C--N 1.338 0.094 0 CA-C-N 118.67 0.668 . . . . 0.0 111.617 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.03 -41.3 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.37 0.532 . . . . 0.0 111.749 -169.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 pt -124.48 15.31 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 118.893 0.769 . . . . 0.0 112.426 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.59 -34.47 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.548 -0.72 . . . . 0.0 112.42 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -87.0 -11.88 49.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.04 0.936 . . . . 0.0 112.155 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.1 171.75 14.54 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.827 0.851 . . . . 0.0 111.7 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -140.35 -46.0 0.42 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.57 172.53 12.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.596 1.159 . . . . 0.0 109.387 -173.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -48.91 -41.28 33.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.322 1.449 . . . . 0.0 114.489 -169.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.39 -43.6 73.18 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.98 -35.75 77.08 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.003 0.521 . . . . 0.0 110.115 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -69.57 -42.32 74.68 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 121.639 -0.663 . . . . 0.0 109.663 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.53 91.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.152 0.433 . . . . 0.0 110.326 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -66.99 -36.55 82.42 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.598 0.636 . . . . 0.0 112.184 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.52 -53.08 47.81 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 173.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -54.42 -48.7 71.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.006 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.08 -53.71 55.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.065 0.546 . . . . 0.0 111.199 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -74.62 -32.6 62.37 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 112.044 -169.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -68.77 -40.22 79.83 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 119.503 1.047 . . . . 0.0 110.65 173.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.3 -42.14 96.52 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.274 175.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.46 -33.33 71.16 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.858 0.754 . . . . 0.0 111.791 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.74 -21.83 44.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.287 0.635 . . . . 0.0 112.686 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.4 m -100.84 -45.97 5.28 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.298 0.639 . . . . 0.0 112.627 -169.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.07 127.19 32.23 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -169.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -83.54 44.1 0.95 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.189 1.395 . . . . 0.0 110.467 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -63.21 156.39 69.1 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.09 -1.006 . . . . 0.0 110.245 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.81 142.93 58.25 Favored 'Cis proline' 0 C--N 1.348 0.535 0 CA-C-N 119.805 0.966 . . . . 0.0 111.03 -6.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -145.66 164.89 30.35 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.8 ttt -92.69 146.05 23.95 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.399 -0.813 . . . . 0.0 109.01 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.38 172.28 34.16 Favored Glycine 0 C--N 1.333 0.366 0 O-C-N 121.416 -0.802 . . . . 0.0 112.148 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -99.6 124.79 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -82.84 103.49 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -86.91 61.79 7.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.319 1.848 . . . . 0.0 107.044 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -55.67 114.27 1.8 Allowed 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.83 1.252 . . . . 0.0 109.585 -173.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -84.77 51.81 2.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.986 0.914 . . . . 0.0 110.804 -174.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -140.42 19.94 2.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.76 0.824 . . . . 0.0 112.708 -171.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -57.46 -40.58 78.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.204 0.911 . . . . 0.0 112.19 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -132.69 -50.58 0.91 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.069 0.948 . . . . 0.0 109.29 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.4 p -143.28 -60.6 0.42 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.481 0.713 . . . . 0.0 109.107 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -145.34 36.13 1.09 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.817 1.647 . . . . 0.0 108.796 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 p -117.72 144.36 45.35 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.86 1.664 . . . . 0.0 109.389 -169.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.9 mm -79.63 143.31 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 -170.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -137.46 150.35 47.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -122.34 129.45 52.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.657 0.662 . . . . 0.0 110.001 -169.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -129.86 144.36 51.27 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 169.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.1 m -90.61 126.29 35.91 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 m -137.44 159.6 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.836 0.827 . . . . 0.0 109.619 -169.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.56 120.25 41.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -81.16 137.67 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.81 -23.69 16.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.841 0.457 . . . . 0.0 110.988 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.5 169.99 24.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.762 -1.735 . . . . 0.0 108.762 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.8 mtp -65.83 149.42 50.21 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 169.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.43 167.01 14.13 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 123.417 0.687 . . . . 0.0 109.875 171.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.44 146.78 31.65 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.785 2.323 . . . . 0.0 112.522 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -58.95 -27.1 65.01 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.623 0.769 . . . . 0.0 111.917 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.0 -23.14 63.41 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 0.0 113.216 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.3 -5.38 12.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.707 0.803 . . . . 0.0 112.002 177.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -92.62 24.4 3.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.365 0.666 . . . . 0.0 112.097 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 mt -83.6 -3.73 57.96 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.063 0.945 . . . . 0.0 112.346 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -132.33 -24.27 2.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.968 0.907 . . . . 0.0 112.695 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -162.18 149.39 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -174.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.02 146.63 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.318 0.963 . . . . 0.0 109.191 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -138.36 158.41 44.33 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.712 0.805 . . . . 0.0 110.603 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.19 141.9 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.902 1.681 . . . . 0.0 107.929 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.64 136.83 36.92 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 169.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.75 150.36 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.179 0.591 . . . . 0.0 109.524 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.08 130.44 55.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -86.21 90.6 8.2 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.267 0.627 . . . . 0.0 110.597 -169.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.7 mt -58.99 -36.18 60.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.228 1.011 . . . . 0.0 108.926 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.53 17.17 11.1 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.137 1.351 . . . . 0.0 113.129 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.93 -132.78 2.45 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 126.041 1.781 . . . . 0.0 108.791 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -60.58 -30.48 69.83 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.36 -174.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 t70 50.27 27.22 2.56 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.056 1.743 . . . . 0.0 112.811 -172.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -153.34 15.15 0.52 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.762 1.625 . . . . 0.0 110.647 -172.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -150.21 159.98 44.03 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 125.71 1.604 . . . . 0.0 107.963 -175.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.7 p -131.23 151.78 36.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 124.35 1.06 . . . . 0.0 110.396 -169.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -142.02 179.84 6.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 127.219 2.208 . . . . 0.0 107.477 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 m -129.68 139.62 51.33 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.32 152.11 50.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.423 1.489 . . . . 0.0 107.439 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 142.82 45.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 169.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.63 -29.26 66.39 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 170.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.0 m -60.24 -14.09 15.99 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.716 1.606 . . . . 0.0 113.96 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -116.99 12.47 14.61 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.682 1.193 . . . . 0.0 109.764 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.95 144.74 20.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 O-C-N 120.403 -1.436 . . . . 0.0 108.721 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -131.37 109.94 10.7 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 172.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.28 149.76 49.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.241 0.543 . . . . 0.0 110.206 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.7 mt -118.43 132.75 67.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.73 39.27 9.97 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.024 1.729 . . . . 0.0 113.236 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -95.59 171.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.605 0.762 . . . . 0.0 110.221 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 158.9 27.12 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 122.438 1.113 . . . . 0.0 110.968 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.43 -42.32 87.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.338 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.11 -27.77 54.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.469 0.577 . . . . 0.0 110.705 -175.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.2 m -68.64 -47.06 67.55 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 172.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -46.45 88.6 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.32 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.86 98.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.859 0.754 . . . . 0.0 111.414 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.44 -49.07 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.44 83.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.448 0.567 . . . . 0.0 110.127 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.488 ' HB2' HH21 ' A' ' 10' ' ' ARG . 21.9 t70 -59.64 -41.56 90.79 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.886 0.875 . . . . 0.0 111.751 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -69.2 -42.74 75.39 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.994 0.518 . . . . 0.0 110.57 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.41 -30.86 71.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.974 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.22 -50.64 67.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 119.474 1.034 . . . . 0.0 109.639 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -58.22 -39.1 78.18 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.09 0.859 . . . . 0.0 111.151 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.44 -55.56 32.02 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.253 -0.904 . . . . 0.0 110.198 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.2 66.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.832 0.853 . . . . 0.0 112.481 -177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 -69.82 -13.36 62.23 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.32 1.048 . . . . 0.0 110.924 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.66 36.89 31.93 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -170.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 56.15 -172.85 0.07 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.996 2.118 . . . . 0.0 112.258 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -127.81 -36.07 2.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.909 169.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.8 p90 . . . . . 0 C--O 1.251 1.149 0 CA-C-N 119.918 1.235 . . . . 0.0 109.617 169.713 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 tpp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.28 167.34 27.27 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.116 1.367 . . . . 0.0 108.61 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -123.43 17.3 9.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.801 1.641 . . . . 0.0 111.162 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.75 139.54 17.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 169.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -138.32 10.21 2.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.242 0.617 . . . . 0.0 112.586 -169.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.68 81.09 1.6 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -133.85 18.77 3.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.196 1.398 . . . . 0.0 110.351 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.82 -28.14 65.75 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -169.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -56.32 -49.66 73.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.729 1.212 . . . . 0.0 110.153 172.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -80.02 -34.6 38.25 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.839 -176.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -59.3 -39.46 83.07 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.88 1.218 . . . . 0.0 110.265 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -63.44 -47.69 80.87 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.292 0.496 . . . . 0.0 110.708 174.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -56.66 -48.37 77.75 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.954 0.797 . . . . 0.0 110.343 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.91 -53.55 36.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.45 -36.43 80.37 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.487 0.715 . . . . 0.0 112.049 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 p -101.96 -12.7 18.0 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -169.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -133.76 -14.22 2.48 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -172.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.03 -47.49 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.822 1.192 . . . . 0.0 109.914 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 pt -116.64 14.41 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.62 0.768 . . . . 0.0 111.701 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.31 -34.98 34.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.278 1.031 . . . . 0.0 112.046 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.76 -10.25 51.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.956 0.902 . . . . 0.0 112.101 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.02 10.71 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.704 0.802 . . . . 0.0 111.525 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -148.46 -43.91 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.104 0.962 . . . . 0.0 109.776 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -129.25 169.72 14.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.751 1.22 . . . . 0.0 108.725 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -51.78 -39.21 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.994 1.718 . . . . 0.0 114.619 -169.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.42 -42.41 83.26 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -69.2 -33.55 73.51 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.149 0.58 . . . . 0.0 110.331 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -68.04 -42.82 79.97 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.58 -0.7 . . . . 0.0 109.355 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.85 95.23 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.588 0.355 . . . . 0.0 110.57 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.8 mmt -64.99 -39.21 93.13 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.594 0.634 . . . . 0.0 112.209 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -49.91 68.94 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -57.95 -49.1 77.94 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.429 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.58 -52.93 63.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.521 0.329 . . . . 0.0 110.743 -174.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.79 -31.04 64.57 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.909 -0.567 . . . . 0.0 111.583 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -63.65 -46.31 86.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.175 0.898 . . . . 0.0 110.238 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.48 -42.95 86.7 Favored 'General case' 0 N--CA 1.458 -0.059 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.669 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.72 -35.23 75.81 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.566 0.621 . . . . 0.0 111.565 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.39 -24.58 57.22 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -98.25 -46.57 5.77 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -169.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -67.26 128.58 36.91 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.801 0.84 . . . . 0.0 110.056 -169.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -78.81 20.8 0.44 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.254 1.422 . . . . 0.0 114.248 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.413 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 20.2 p90 -53.49 153.31 7.66 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -169.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.73 147.54 46.24 Favored 'Cis proline' 0 C--N 1.352 0.746 0 CA-C-N 119.445 0.838 . . . . 0.0 113.768 -7.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -149.75 164.01 36.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.524 1.13 . . . . 0.0 109.324 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -90.95 145.97 24.27 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.936 -1.103 . . . . 0.0 109.865 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.22 168.78 33.13 Favored Glycine 0 C--N 1.335 0.526 0 O-C-N 121.097 -1.002 . . . . 0.0 111.472 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -97.62 125.75 42.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.247 -1.761 . . . . 0.0 106.247 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -84.65 103.02 13.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 169.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -84.81 65.93 9.39 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.481 1.512 . . . . 0.0 107.228 171.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -56.11 109.05 0.53 Allowed 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 123.665 0.786 . . . . 0.0 109.375 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -76.0 -28.2 57.71 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.036 1.334 . . . . 0.0 110.012 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -77.66 48.84 0.7 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.928 1.691 . . . . 0.0 111.845 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -137.17 163.91 29.73 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.183 1.393 . . . . 0.0 109.08 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.2 tttm 56.02 -76.57 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.555 2.342 . . . . 0.0 110.829 -169.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 p -142.47 -53.98 0.42 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.871 1.669 . . . . 0.0 107.108 175.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.7 m -161.84 56.61 0.26 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.442 1.897 . . . . 0.0 107.315 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -128.28 143.19 51.0 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -170.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.21 139.31 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.86 151.3 50.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 169.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -121.99 121.85 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.898 -0.501 . . . . 0.0 110.141 -169.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -122.79 142.57 50.59 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -96.49 122.86 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.9 m -136.82 157.23 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 122.228 1.013 . . . . 0.0 111.139 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -103.18 116.81 33.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.22 113.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 171.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.08 -31.93 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.958 0.503 . . . . 0.0 110.786 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.413 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 169.56 176.89 39.73 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.146 -1.581 . . . . 0.0 109.146 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mtp -64.63 149.82 48.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 170.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.22 166.96 11.22 Favored Pre-proline 0 CA--C 1.543 0.674 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 147.29 14.53 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.424 2.083 . . . . 0.0 111.98 171.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.29 -30.62 64.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.039 0.536 . . . . 0.0 111.266 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.18 -26.58 68.22 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.054 0.942 . . . . 0.0 112.691 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -79.0 -33.41 44.99 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.8 -0.563 . . . . 0.0 109.921 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.64 28.1 0.49 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.716 1.206 . . . . 0.0 113.511 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.93 -16.51 40.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.111 0.965 . . . . 0.0 113.238 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -132.65 -21.01 2.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -154.71 170.97 20.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.1 mmt -93.52 139.93 30.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.43 156.98 47.61 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.019 0.527 . . . . 0.0 109.816 -175.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.82 140.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.872 1.269 . . . . 0.0 108.487 -173.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.27 133.38 36.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.38 147.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.38 123.49 44.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -75.99 109.35 9.56 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt -67.16 -30.94 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 124.736 1.214 . . . . 0.0 109.911 -173.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.34 -37.02 8.41 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.4 -48.25 25.03 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.204 0.907 . . . . 0.0 112.271 -173.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -145.84 -42.79 0.21 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.374 1.087 . . . . 0.0 112.638 -173.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.8 t70 52.1 22.75 1.99 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.451 1.5 . . . . 0.0 112.301 -169.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -154.83 11.77 0.37 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.688 1.595 . . . . 0.0 111.048 -170.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -147.53 159.74 43.4 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.392 1.477 . . . . 0.0 107.455 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.4 148.35 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.749 0.82 . . . . 0.0 109.073 -169.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.89 -178.08 4.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.971 2.509 . . . . 0.0 107.866 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -127.8 138.89 52.88 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.83 159.47 35.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 108.316 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 140.51 39.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 169.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.83 -28.79 70.1 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 168.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.9 m -61.63 -7.28 3.18 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.124 1.769 . . . . 0.0 113.711 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.21 9.03 10.36 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.016 1.326 . . . . 0.0 109.736 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.84 147.22 17.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 O-C-N 120.532 -1.355 . . . . 0.0 109.283 -173.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.81 107.84 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 153.31 44.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.421 0.629 . . . . 0.0 110.686 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.6 mt -122.43 131.81 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.306 1.442 . . . . 0.0 107.122 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.6 t70 51.11 36.84 16.52 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.832 1.653 . . . . 0.0 113.984 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.8 m -89.17 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 121.565 -0.709 . . . . 0.0 110.389 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.57 164.74 24.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.182 0.991 . . . . 0.0 110.01 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.08 -35.42 73.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.844 1.258 . . . . 0.0 111.145 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.36 -41.97 69.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.214 0.915 . . . . 0.0 111.022 -174.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.9 m -64.04 -47.66 79.34 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -63.0 -37.16 86.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.228 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.92 -41.99 81.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.826 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.9 86.54 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.269 0.941 . . . . 0.0 110.658 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.44 -53.32 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.655 0.782 . . . . 0.0 109.281 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.39 86.13 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.669 0.387 . . . . 0.0 110.55 -175.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.14 -38.43 76.54 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.168 1.387 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -67.83 -42.05 82.05 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.069 0.548 . . . . 0.0 110.9 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.12 -32.38 73.47 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.565 -0.709 . . . . 0.0 111.193 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -67.29 -40.9 86.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.368 0.985 . . . . 0.0 110.179 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -37.51 84.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 120.05 1.295 . . . . 0.0 111.957 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.7 tp -59.73 -47.05 87.22 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.555 0.742 . . . . 0.0 109.339 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 172.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -8.18 53.65 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.104 1.362 . . . . 0.0 111.185 177.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.76 30.73 61.29 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 118.471 -1.183 . . . . 0.0 112.008 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 59.91 171.23 0.08 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.541 2.336 . . . . 0.0 114.807 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -135.3 10.08 3.49 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.604 1.562 . . . . 0.0 110.724 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 124.358 1.063 . . . . 0.0 109.032 169.347 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 tpp . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.9 151.91 46.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 122.049 -0.407 . . . . 0.0 110.058 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -138.62 31.41 2.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.017 1.727 . . . . 0.0 108.325 170.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -73.52 -20.84 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.761 1.624 . . . . 0.0 111.452 -169.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -53.8 127.32 25.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.33 1.452 . . . . 0.0 109.704 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -37.34 85.21 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.796 0.438 . . . . 0.0 110.312 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -172.69 166.87 5.41 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.145 2.178 . . . . 0.0 106.236 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.42 -30.14 59.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.853 0.752 . . . . 0.0 111.095 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 m -59.09 -27.37 65.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.345 1.058 . . . . 0.0 112.364 173.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -75.61 -46.1 33.66 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 120.024 -1.672 . . . . 0.0 109.158 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -58.88 -39.83 82.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.262 0.625 . . . . 0.0 110.635 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.97 -52.18 66.85 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.596 0.759 . . . . 0.0 109.737 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.26 -36.99 85.82 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 119.068 0.849 . . . . 0.0 111.336 -176.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -55.32 -53.63 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.28 -41.13 96.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.932 -175.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.0 p -99.28 -9.58 23.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.514 1.052 . . . . 0.0 113.613 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -126.17 -18.84 4.88 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.549 1.068 . . . . 0.0 113.021 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -114.73 -46.94 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.836 1.198 . . . . 0.0 109.861 -172.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -122.21 15.47 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.308 0.643 . . . . 0.0 112.462 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.06 -36.47 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 124.691 1.196 . . . . 0.0 113.043 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.03 -7.94 47.38 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.716 0.807 . . . . 0.0 111.811 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.06 161.16 29.11 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.652 -0.655 . . . . 0.0 111.813 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.42 -24.27 0.24 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.124 0.97 . . . . 0.0 112.383 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -149.73 175.64 11.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.751 1.22 . . . . 0.0 108.877 -174.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -56.02 -38.57 70.69 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.52 1.128 . . . . 0.0 113.385 -172.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.84 -44.36 70.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.37 -37.64 77.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.134 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' HE ' ' HB2' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -69.86 -39.48 76.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.772 1.169 . . . . 0.0 109.549 -178.538 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.37 86.38 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 119.29 -0.386 . . . . 0.0 110.823 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -62.35 -37.13 84.46 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.658 0.663 . . . . 0.0 111.362 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.94 60.11 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 118.996 0.816 . . . . 0.0 111.394 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -56.11 -50.87 69.85 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.433 0.617 . . . . 0.0 109.869 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.59 -49.71 72.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.781 1.232 . . . . 0.0 110.954 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.9 -41.33 95.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.158 0.435 . . . . 0.0 110.118 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -65.08 -45.8 83.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.108 0.413 . . . . 0.0 110.444 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.35 -46.04 81.79 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 122.985 0.514 . . . . 0.0 109.734 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.68 -34.56 73.02 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.131 0.572 . . . . 0.0 111.954 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.41 -24.33 54.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.164 0.585 . . . . 0.0 112.406 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -96.53 -46.35 6.38 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.892 0.477 . . . . 0.0 111.481 -170.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.91 121.52 15.69 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -171.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -84.78 53.43 2.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.725 0.81 . . . . 0.0 109.813 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -64.78 159.82 59.39 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.34 0.656 . . . . 0.0 111.698 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.92 142.26 25.79 Favored 'Cis proline' 0 C--N 1.351 0.704 0 CA-C-N 119.615 0.898 . . . . 0.0 112.348 -10.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -146.43 161.71 39.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.845 0.858 . . . . 0.0 109.305 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.5 ttt -95.44 146.91 24.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.093 -1.005 . . . . 0.0 110.551 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.52 170.35 34.02 Favored Glycine 0 C--N 1.335 0.477 0 O-C-N 121.451 -0.781 . . . . 0.0 111.46 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -99.47 126.66 45.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.93 103.39 11.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.86 62.79 2.69 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.52 112.07 0.93 Allowed 'General case' 0 CA--C 1.524 -0.048 0 C-N-CA 124.455 1.102 . . . . 0.0 109.07 -173.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -86.14 -22.82 26.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 118.859 0.754 . . . . 0.0 111.12 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -71.08 -4.14 23.55 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.9 tpt85 -51.15 -35.92 38.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.875 1.216 . . . . 0.0 112.419 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -147.48 59.81 1.15 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 169.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m 73.64 -50.2 0.69 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.919 2.088 . . . . 0.0 112.54 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 m -141.18 -4.9 1.13 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.4 p -72.39 121.91 20.32 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.683 1.129 . . . . 0.0 109.167 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.18 134.35 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.97 150.94 51.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.91 134.5 52.65 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.691 -0.631 . . . . 0.0 111.161 -168.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -140.91 139.6 34.37 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 169.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -91.97 129.99 37.81 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -142.39 154.67 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 122.418 1.104 . . . . 0.0 111.367 -169.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -98.92 118.61 36.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 168.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.82 115.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.43 -29.34 41.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.157 0.583 . . . . 0.0 110.682 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.17 179.25 39.49 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.2 148.39 48.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.34 164.04 47.16 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 123.209 0.604 . . . . 0.0 110.626 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -51.27 152.82 10.7 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.362 2.708 . . . . 0.0 113.088 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.7 -30.63 56.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.312 1.045 . . . . 0.0 112.686 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.1 -32.25 72.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.485 0.714 . . . . 0.0 112.116 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.06 -41.01 13.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.5 m -70.01 9.03 0.61 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.8 mt -92.54 -14.85 27.75 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.599 1.56 . . . . 0.0 111.209 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -106.43 -42.29 5.06 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 111.096 -168.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -158.12 176.31 12.66 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 128.302 2.641 . . . . 0.0 104.157 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.6 mmt -84.99 135.11 34.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 120.172 1.351 . . . . 0.0 108.384 169.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -137.04 157.25 47.13 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.204 1.002 . . . . 0.0 109.314 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.32 142.17 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 125.403 1.481 . . . . 0.0 107.927 -175.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.56 131.34 35.51 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 169.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -137.72 147.93 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 122.833 0.453 . . . . 0.0 110.025 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.51 138.04 51.14 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.215 1.006 . . . . 0.0 108.7 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.04 121.59 19.44 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.527 0.731 . . . . 0.0 111.685 -173.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.8 mt -86.0 63.54 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.82 -48.23 0.02 OUTLIER Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.216 0.912 . . . . 0.0 110.849 175.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.7 -22.1 0.04 OUTLIER Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.824 0.726 . . . . 0.0 113.619 175.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 28.42 0.87 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.03 1.415 . . . . 0.0 110.262 178.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -56.8 -32.88 66.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.25 1.02 . . . . 0.0 111.266 174.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.37 -12.29 61.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.807 1.243 . . . . 0.0 112.89 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -124.05 62.72 1.08 Allowed 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.288 1.435 . . . . 0.0 109.021 -171.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t -53.08 143.97 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 125.451 1.5 . . . . 0.0 110.095 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -120.41 -179.38 3.95 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.979 2.112 . . . . 0.0 109.399 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.5 m -126.54 133.53 51.09 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.59 154.98 43.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.341 1.457 . . . . 0.0 107.891 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -72.14 134.93 46.02 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.31 -27.71 69.23 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -66.1 -0.25 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.895 2.078 . . . . 0.0 113.442 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.74 10.1 5.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.871 1.668 . . . . 0.0 109.71 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -115.84 149.94 17.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.498 -1.376 . . . . 0.0 108.758 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -137.29 119.65 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.09 148.84 41.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.724 0.41 . . . . 0.0 110.64 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.4 mt -120.76 128.21 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.978 1.311 . . . . 0.0 108.138 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.51 34.24 9.14 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.002 1.721 . . . . 0.0 113.741 171.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.63 174.82 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.44 0.696 . . . . 0.0 111.23 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.86 161.98 22.7 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.516 0.674 . . . . 0.0 109.856 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.28 -39.11 89.22 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.733 1.213 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -72.76 -35.78 67.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.751 0.705 . . . . 0.0 110.438 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -67.71 -45.1 76.07 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -43.8 94.0 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.948 0.794 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.16 -37.82 81.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.288 0.635 . . . . 0.0 111.616 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.9 96.86 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.58 0.627 . . . . 0.0 111.363 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.88 -50.49 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.1 82.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.786 0.434 . . . . 0.0 109.906 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.25 -39.13 91.87 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.205 0.602 . . . . 0.0 111.547 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -66.32 -42.77 87.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.69 -33.9 77.03 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.474 -0.775 . . . . 0.0 110.787 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.65 -49.51 74.89 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 119.495 1.043 . . . . 0.0 109.618 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -63.14 -37.08 85.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.672 0.669 . . . . 0.0 111.177 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.42 -51.35 67.9 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.421 -0.8 . . . . 0.0 109.78 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.0 67.81 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.61 0.764 . . . . 0.0 112.31 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -65.31 -14.12 60.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.714 1.206 . . . . 0.0 110.902 175.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.17 34.55 46.17 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 56.36 -177.98 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.101 2.16 . . . . 0.0 112.95 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -132.43 -4.26 3.37 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 171.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.52 ' HB2' ' HE ' ' A' ' 28' ' ' ARG . 30.6 m-85 . . . . . 0 C--O 1.248 0.987 0 N-CA-C 104.802 -2.295 . . . . 0.0 104.802 176.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.48 146.59 38.41 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 171.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -79.86 25.91 0.34 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.599 1.56 . . . . 0.0 112.136 -174.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.7 -17.88 21.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 C-N-CA 125.983 1.713 . . . . 0.0 112.614 -170.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -65.23 161.12 19.98 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.332 -0.855 . . . . 0.0 112.08 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -64.67 -54.51 30.59 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -164.23 -171.83 2.54 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.519 1.927 . . . . 0.0 106.514 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.41 0.6 2.05 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.042 -1.036 . . . . 0.0 112.369 174.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -53.67 -50.07 66.58 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.923 1.289 . . . . 0.0 109.805 169.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -66.83 -42.25 86.13 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.343 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -56.86 -44.33 82.07 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.212 0.46 . . . . 0.0 110.379 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -62.43 -47.6 83.34 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.174 0.59 . . . . 0.0 109.987 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 -61.48 -44.89 96.28 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.011 0.823 . . . . 0.0 110.718 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.68 -56.25 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.37 -35.84 81.36 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.1 p -106.45 1.22 25.39 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -141.46 -45.17 0.37 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.842 0.746 . . . . 0.0 111.942 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.29 -45.38 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 119.108 0.867 . . . . 0.0 110.071 -170.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -122.37 13.6 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.736 0.814 . . . . 0.0 112.248 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -53.95 -35.19 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.098 0.959 . . . . 0.0 112.714 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.74 -11.79 52.71 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.881 0.872 . . . . 0.0 112.291 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.44 176.84 9.42 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.872 0.869 . . . . 0.0 111.883 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.41 -43.11 0.17 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.065 0.946 . . . . 0.0 110.367 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.94 168.64 18.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.948 1.299 . . . . 0.0 108.284 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -48.54 -38.95 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.562 1.945 . . . . 0.0 114.687 -169.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.64 -42.71 77.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.588 0.631 . . . . 0.0 109.431 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -69.35 -34.61 74.85 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.463 0.705 . . . . 0.0 110.103 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -68.35 -42.43 79.26 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.63 -0.669 . . . . 0.0 109.4 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.55 85.6 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.257 0.48 . . . . 0.0 110.293 172.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.3 mmt -63.77 -38.02 89.52 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.068 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.56 57.16 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.303 0.956 . . . . 0.0 111.027 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -57.34 -47.3 81.94 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.875 0.47 . . . . 0.0 111.113 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.25 -48.2 82.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.683 0.793 . . . . 0.0 110.799 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -66.07 -42.61 89.17 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.727 0.694 . . . . 0.0 110.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.45 -46.86 86.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.669 0.387 . . . . 0.0 110.472 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.2 -44.21 84.59 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-O 118.673 -0.679 . . . . 0.0 109.909 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.65 -33.26 72.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.075 0.852 . . . . 0.0 111.732 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.15 -24.24 51.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.135 0.574 . . . . 0.0 112.153 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.9 m -98.15 -45.5 6.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.985 0.514 . . . . 0.0 111.922 -170.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.93 125.4 26.51 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.072 0.949 . . . . 0.0 108.966 -169.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -83.63 61.16 6.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.092 1.357 . . . . 0.0 110.303 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -64.27 156.74 74.5 Favored Pre-proline 0 CA--C 1.542 0.635 0 O-C-N 121.531 -0.731 . . . . 0.0 112.212 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.54 151.26 96.32 Favored 'Cis proline' 0 C--N 1.348 0.521 0 N-CA-C 108.812 -1.265 . . . . 0.0 108.812 -10.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -141.97 162.05 36.44 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.305 0.502 . . . . 0.0 111.052 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -90.02 144.83 25.56 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.94 32.93 Favored Glycine 0 N--CA 1.447 -0.569 0 O-C-N 121.481 -0.762 . . . . 0.0 111.198 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -98.23 124.33 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -83.76 102.35 12.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -94.99 68.24 3.17 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -51.02 122.03 6.93 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 125.492 1.517 . . . . 0.0 108.902 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.54 171.72 9.85 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.206 1.002 . . . . 0.0 109.677 -176.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m 58.21 38.62 26.24 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.701 1.201 . . . . 0.0 111.883 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -52.97 -43.96 66.78 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.722 0.809 . . . . 0.0 110.866 172.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -149.55 -46.88 0.14 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.099 0.96 . . . . 0.0 110.778 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 m -141.59 59.7 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 -169.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m 59.47 14.12 3.65 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.96 1.304 . . . . 0.0 112.668 -169.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -73.16 173.53 9.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.998 2.119 . . . . 0.0 110.782 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm -120.81 138.95 49.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 124.728 1.211 . . . . 0.0 107.768 -169.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -125.31 152.18 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.13 148.93 50.61 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.962 1.255 . . . . 0.0 112.394 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -139.38 148.66 43.15 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 170.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.7 m -100.55 125.61 46.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.82 158.64 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.249 1.023 . . . . 0.0 112.071 -168.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.8 118.21 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 169.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.92 137.63 20.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -98.32 -22.72 15.96 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.887 0.475 . . . . 0.0 111.43 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.95 174.24 26.41 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 -172.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.6 mtp -65.49 153.45 41.38 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.298 0.57 . . . . 0.0 110.009 169.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.63 169.29 5.33 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.302 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -51.98 155.52 8.47 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.017 2.478 . . . . 0.0 112.962 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.85 -32.67 66.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.591 0.756 . . . . 0.0 111.763 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.48 -26.77 66.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.046 0.538 . . . . 0.0 112.145 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -80.6 -40.4 25.79 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.13 10.07 2.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.876 -172.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -18.6 54.75 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.998 2.119 . . . . 0.0 111.478 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -130.9 -27.53 2.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.623 0.769 . . . . 0.0 113.024 -170.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -154.83 169.44 23.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -86.83 136.86 32.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.395 1.452 . . . . 0.0 108.271 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -138.28 157.73 45.69 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.96 141.99 28.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.301 1.44 . . . . 0.0 108.633 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.88 135.52 35.93 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 170.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.75 148.88 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.236 0.615 . . . . 0.0 109.844 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.71 132.51 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 124.949 1.299 . . . . 0.0 107.637 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.1 115.61 12.64 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.843 0.457 . . . . 0.0 110.553 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -76.69 -27.37 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.61 -35.65 81.82 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.241 0.924 . . . . 0.0 113.416 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.57 -44.7 0.02 OUTLIER Glycine 0 CA--C 1.526 0.719 0 CA-C-O 118.596 -1.113 . . . . 0.0 114.524 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -70.39 -43.52 69.88 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.249 1.525 . . . . 0.0 111.439 -169.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.0 t70 59.57 -19.49 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.918 2.887 . . . . 0.0 116.785 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -140.35 24.02 2.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.422 1.489 . . . . 0.0 110.987 -169.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -136.75 156.92 47.88 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.267 1.427 . . . . 0.0 108.744 174.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.3 t -132.69 146.02 33.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 124.265 1.026 . . . . 0.0 109.099 -169.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -129.01 -178.97 4.85 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.726 2.41 . . . . 0.0 108.492 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 m -125.69 136.56 53.34 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 169.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.56 156.49 39.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.713 1.605 . . . . 0.0 107.981 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 139.54 45.13 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 169.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -28.94 69.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -61.27 -9.62 5.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.871 2.468 . . . . 0.0 113.856 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -122.87 10.07 9.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.551 1.54 . . . . 0.0 109.537 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.81 145.77 18.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 O-C-N 120.762 -1.211 . . . . 0.0 108.313 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -133.48 108.87 8.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.86 150.46 47.76 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.254 0.549 . . . . 0.0 110.343 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.2 mt -119.29 132.93 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.37 41.17 12.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.984 1.714 . . . . 0.0 113.098 174.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.02 171.26 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.663 0.785 . . . . 0.0 110.48 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 159.53 26.5 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 122.049 0.928 . . . . 0.0 110.861 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.495 1.118 . . . . 0.0 110.88 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -73.69 -28.84 61.95 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.538 0.608 . . . . 0.0 110.62 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 34.5 m -70.9 -47.09 61.06 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -43.61 98.55 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.48 -46.02 89.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.16 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.02 91.0 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.983 0.81 . . . . 0.0 111.473 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.68 -50.78 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 122.921 0.488 . . . . 0.0 109.731 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.14 82.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.608 0.64 . . . . 0.0 110.511 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.467 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 17.3 t70 -64.77 -43.2 94.03 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.717 0.807 . . . . 0.0 111.144 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -63.96 -36.37 83.73 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.09 -0.381 . . . . 0.0 111.189 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 50.4 mt -71.4 -40.46 70.51 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.139 -0.976 . . . . 0.0 111.697 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 1.1 p90 -70.64 -29.84 66.31 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.251 1.387 . . . . 0.0 110.379 173.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -65.15 -35.88 82.49 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.369 -0.832 . . . . 0.0 109.769 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.19 -48.79 77.87 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.629 -0.669 . . . . 0.0 109.585 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.13 -25.1 67.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 112.984 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -22.41 32.64 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.225 1.41 . . . . 0.0 113.964 176.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.31 34.83 25.06 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.48 166.13 0.08 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.422 2.289 . . . . 0.0 114.11 173.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -131.61 -8.93 3.63 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.939 1.296 . . . . 0.0 112.088 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 8.1 p90 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 126.519 1.928 . . . . 0.0 107.581 -176.434 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.23 163.92 14.32 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.187 0.595 . . . . 0.0 111.343 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -122.68 23.02 9.67 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.241 1.816 . . . . 0.0 110.47 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 p -139.87 150.8 21.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 170.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -62.44 172.08 1.69 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.244 1.418 . . . . 0.0 111.371 -176.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -45.53 63.27 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.045 0.938 . . . . 0.0 112.111 -170.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 t70 50.32 -66.82 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.842 2.857 . . . . 0.0 113.311 -169.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 56.84 -27.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 131.484 3.913 . . . . 0.0 116.26 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 p -58.38 -45.91 87.38 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.38 1.072 . . . . 0.0 110.564 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -72.32 -38.68 68.61 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.198 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -59.06 -42.66 90.88 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.612 1.096 . . . . 0.0 109.988 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -62.85 -45.59 91.86 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.862 0.465 . . . . 0.0 110.841 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -64.6 -41.64 96.1 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.586 -0.697 . . . . 0.0 111.468 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.8 mt -55.89 -53.72 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 174.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.88 -41.46 82.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.609 0.764 . . . . 0.0 111.77 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.6 p -93.17 -14.27 27.36 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -171.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -129.94 -13.07 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.11 -39.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 119.579 1.081 . . . . 0.0 109.981 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -126.39 14.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.51 -31.78 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.192 0.997 . . . . 0.0 112.485 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.09 11.27 34.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.582 1.153 . . . . 0.0 111.472 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.49 152.82 51.71 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 124.623 1.169 . . . . 0.0 110.006 -169.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.45 -37.66 0.23 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.642 0.777 . . . . 0.0 111.135 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.06 163.29 24.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -64.86 -34.93 79.54 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.179 -0.95 . . . . 0.0 111.439 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.45 -43.99 79.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -66.04 -45.56 80.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.95 0.5 . . . . 0.0 109.659 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -68.43 -34.65 76.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.15 -176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.76 96.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.841 0.746 . . . . 0.0 110.33 169.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.6 mmt -67.09 -33.73 76.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.674 -0.641 . . . . 0.0 112.474 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.97 -50.29 67.27 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -57.85 -48.36 80.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.183 171.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.01 -54.21 49.46 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.083 0.401 . . . . 0.0 111.406 -173.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -73.87 -29.12 61.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.11 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -63.33 -46.48 86.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.186 0.903 . . . . 0.0 110.139 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.0 -46.51 84.2 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.469 0.708 . . . . 0.0 109.759 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.37 -33.93 71.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.372 0.533 . . . . 0.0 111.978 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.85 -23.01 49.05 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.191 0.596 . . . . 0.0 112.529 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -98.98 -44.98 6.12 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.202 0.601 . . . . 0.0 111.855 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.71 123.59 20.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.403 1.081 . . . . 0.0 109.989 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.08 46.39 1.01 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.423 1.489 . . . . 0.0 110.457 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 26.6 p90 -64.19 157.92 67.39 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.094 -1.004 . . . . 0.0 110.967 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.81 147.88 77.36 Favored 'Cis proline' 0 C--N 1.35 0.611 0 CA-C-N 119.707 0.931 . . . . 0.0 110.974 -8.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -150.69 166.57 29.99 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.88 0.472 . . . . 0.0 109.834 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -88.96 145.93 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.476 -0.765 . . . . 0.0 109.689 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.64 169.85 31.75 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -99.02 124.33 43.93 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.62 102.62 11.57 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -92.18 64.21 4.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 126.309 1.844 . . . . 0.0 106.371 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.29 131.62 47.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -172.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -56.42 142.59 37.99 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.207 0.912 . . . . 0.0 108.841 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.1 m -59.0 166.51 1.98 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.996 0.903 . . . . 0.0 112.643 -176.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -53.56 -31.21 45.66 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.249 1.42 . . . . 0.0 113.388 -174.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -146.73 -42.42 0.19 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 118.876 0.762 . . . . 0.0 111.396 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -67.29 161.34 25.21 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.842 0.857 . . . . 0.0 111.024 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 m -77.29 4.54 10.41 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.545 1.138 . . . . 0.0 112.888 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 p -72.52 -173.74 1.21 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.363 1.465 . . . . 0.0 110.71 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm -129.15 137.99 55.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -113.65 148.98 35.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 104.194 -2.521 . . . . 0.0 104.194 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -128.95 131.57 47.52 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.169 -0.957 . . . . 0.0 109.873 -170.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -131.45 146.38 52.23 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 m -97.79 125.83 42.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.28 156.28 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 122.02 0.914 . . . . 0.0 111.155 -169.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -105.47 116.23 31.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -73.26 143.45 13.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.56 -24.45 13.41 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.334 0.654 . . . . 0.0 110.757 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.67 176.59 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.84 148.8 42.12 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.07 168.97 7.78 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.0 147.08 27.43 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.037 1.824 . . . . 0.0 111.694 169.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -58.81 -31.22 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.961 0.504 . . . . 0.0 111.144 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -65.21 -26.79 68.29 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.86 0.864 . . . . 0.0 112.461 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -79.84 -26.32 40.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.883 -0.511 . . . . 0.0 110.493 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.0 m -95.58 28.48 2.97 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.044 0.938 . . . . 0.0 113.215 -169.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.35 -19.32 59.67 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 -176.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.4 -16.31 3.5 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -170.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -166.53 159.89 14.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.438 2.295 . . . . 0.0 104.853 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -92.18 144.42 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.362 0.983 . . . . 0.0 108.75 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -141.21 156.86 45.86 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.27 0.628 . . . . 0.0 110.753 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.48 142.96 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.897 1.679 . . . . 0.0 107.812 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.92 136.25 37.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.04 152.42 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 123.346 0.658 . . . . 0.0 109.919 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.34 141.06 51.54 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.641 1.177 . . . . 0.0 107.917 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -73.62 124.91 26.84 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.827 0.451 . . . . 0.0 110.778 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.8 mt -82.45 -24.27 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.17 -42.32 87.7 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.214 0.911 . . . . 0.0 112.634 -176.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.1 -29.57 0.05 OUTLIER Glycine 0 CA--C 1.527 0.802 0 CA-C-N 117.683 0.741 . . . . 0.0 114.161 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -84.71 38.35 0.69 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.99 1.395 . . . . 0.0 111.057 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -21.59 64.15 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.121 1.369 . . . . 0.0 111.922 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.77 -11.6 28.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.5 1.52 . . . . 0.0 113.083 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -135.45 164.14 28.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.669 1.188 . . . . 0.0 110.146 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 t -136.41 152.83 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 125.268 1.427 . . . . 0.0 107.473 -170.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -139.51 179.88 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.386 1.874 . . . . 0.0 108.977 -169.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -127.79 135.32 49.93 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 170.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.83 49.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -72.26 137.28 46.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.26 -26.64 66.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.754 0.422 . . . . 0.0 109.933 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -59.74 -14.39 14.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.881 1.672 . . . . 0.0 113.601 172.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 14.17 9.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.261 1.424 . . . . 0.0 109.581 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.73 149.08 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 120.256 -1.527 . . . . 0.0 108.507 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -133.53 133.4 42.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 169.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.84 25.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.879 0.472 . . . . 0.0 110.311 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.51 132.51 70.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.805 1.242 . . . . 0.0 107.693 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.43 38.63 18.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.84 1.656 . . . . 0.0 113.833 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -92.54 175.27 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 123.997 0.919 . . . . 0.0 111.007 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.16 163.63 24.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 169.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.15 -38.69 89.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.428 1.091 . . . . 0.0 110.878 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.77 -32.7 67.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.659 0.663 . . . . 0.0 110.725 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 m -72.64 -46.64 53.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -59.4 -39.37 83.18 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 119.109 0.868 . . . . 0.0 110.598 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.76 -41.01 99.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.931 0.893 . . . . 0.0 111.153 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.78 94.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.309 0.959 . . . . 0.0 111.015 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.66 -53.57 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.82 92.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.246 0.475 . . . . 0.0 110.365 -170.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.46 -36.41 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.514 1.126 . . . . 0.0 111.519 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -65.85 -43.69 87.73 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.452 0.301 . . . . 0.0 110.674 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.84 -33.11 75.09 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.655 -0.653 . . . . 0.0 110.968 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.96 -43.19 83.75 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.245 0.93 . . . . 0.0 109.967 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.93 -40.59 93.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.061 1.3 . . . . 0.0 111.622 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.22 -50.72 72.55 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.608 0.763 . . . . 0.0 109.464 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.35 -22.27 66.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.015 0.526 . . . . 0.0 112.378 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -12.12 60.98 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.213 1.005 . . . . 0.0 110.859 175.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.38 33.93 46.96 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.975 -174.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 57.6 -176.63 0.07 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.811 2.044 . . . . 0.0 112.778 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -129.78 -41.48 1.32 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.31 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 15.3 p90 . . . . . 0 C--O 1.25 1.097 0 CA-C-N 119.393 0.997 . . . . 0.0 109.563 170.845 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.56 150.66 26.7 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 125.126 1.37 . . . . 0.0 108.397 174.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -73.1 14.63 0.28 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.513 1.125 . . . . 0.0 113.667 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 p -72.27 -15.4 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 C-N-CA 125.838 1.655 . . . . 0.0 111.48 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -57.73 144.95 36.25 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.01 0.924 . . . . 0.0 112.307 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -50.97 14.77 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 168.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -164.96 162.33 20.51 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 128.192 2.597 . . . . 0.0 105.414 170.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -55.23 -26.07 37.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.305 0.957 . . . . 0.0 111.984 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 m -51.79 -32.75 32.53 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.221 1.008 . . . . 0.0 112.135 172.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -64.3 -49.78 70.44 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.19 1.359 . . . . 0.0 109.87 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -65.05 -36.75 85.36 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 119.125 -0.464 . . . . 0.0 110.637 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -64.42 -37.7 88.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.756 0.707 . . . . 0.0 111.434 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -73.09 -36.88 66.87 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 120.357 -1.465 . . . . 0.0 110.938 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt -56.2 -48.95 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 119.346 0.976 . . . . 0.0 108.745 169.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.78 -32.0 67.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.844 1.257 . . . . 0.0 112.033 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 p -106.61 -3.3 20.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.708 0.803 . . . . 0.0 113.096 -171.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -136.45 -22.43 1.3 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.1 -38.45 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.329 0.968 . . . . 0.0 110.308 -169.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.54 12.85 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.156 0.889 . . . . 0.0 112.151 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -56.33 -33.85 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.751 0.82 . . . . 0.0 111.969 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -86.67 -12.07 49.47 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.849 0.86 . . . . 0.0 112.138 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.73 161.77 28.23 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.604 -0.685 . . . . 0.0 111.837 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -149.77 -26.24 0.26 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.223 1.009 . . . . 0.0 112.196 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -147.05 170.75 16.5 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.086 1.355 . . . . 0.0 107.554 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -56.08 -29.37 60.47 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.522 1.529 . . . . 0.0 114.202 -171.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.62 -50.65 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -70.5 -32.14 69.52 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.602 -0.686 . . . . 0.0 111.085 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -57.61 8.96 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 124.832 1.253 . . . . 0.0 107.75 173.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.11 -29.16 61.7 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.961 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.7 mmt -64.18 -40.01 95.2 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 119.742 1.156 . . . . 0.0 110.896 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.9 -50.49 63.47 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.208 0.913 . . . . 0.0 110.957 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -57.8 -46.52 84.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.295 0.638 . . . . 0.0 111.023 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -67.02 -47.63 70.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.335 1.454 . . . . 0.0 110.431 -173.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -65.87 -39.45 90.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.064 0.847 . . . . 0.0 110.545 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.31 -52.18 66.66 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.465 0.706 . . . . 0.0 110.344 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.57 -44.8 77.35 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.911 -177.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.09 -33.25 71.83 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.212 0.605 . . . . 0.0 111.989 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.76 -25.17 48.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.4 m -97.46 -46.7 5.96 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.126 -0.359 . . . . 0.0 111.745 -169.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -66.23 121.27 14.84 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.37 1.068 . . . . 0.0 108.464 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.93 49.24 1.74 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.235 1.014 . . . . 0.0 109.92 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.4 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 23.9 p90 -64.25 163.38 25.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.583 0.753 . . . . 0.0 111.28 176.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.68 143.95 21.32 Favored 'Cis proline' 0 C--N 1.351 0.679 0 CA-C-N 120.067 1.06 . . . . 0.0 112.026 -10.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -145.43 158.23 43.87 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.438 0.563 . . . . 0.0 109.81 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 ttt -86.85 142.64 27.92 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.426 -0.796 . . . . 0.0 108.999 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.88 172.28 31.92 Favored Glycine 0 C--N 1.332 0.36 0 O-C-N 121.593 -0.692 . . . . 0.0 111.765 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.96 125.04 44.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -81.74 101.83 10.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -89.21 62.08 6.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.612 1.965 . . . . 0.0 107.154 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -58.41 126.04 25.88 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -87.75 2.82 50.21 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -177.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 m -139.99 99.48 3.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 120.048 1.294 . . . . 0.0 111.277 -169.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.14 109.01 2.87 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 169.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 62.65 -35.28 0.12 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.537 2.335 . . . . 0.0 113.865 -169.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -144.2 167.6 22.04 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.117 2.167 . . . . 0.0 108.285 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 m -71.88 13.42 0.29 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.139 1.776 . . . . 0.0 113.228 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -72.79 144.24 47.61 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.122 1.769 . . . . 0.0 110.037 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.82 139.5 20.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 169.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.93 150.07 52.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -121.56 127.28 50.79 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.748 0.419 . . . . 0.0 110.139 -169.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -127.86 139.11 52.82 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 170.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -88.47 127.96 35.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 158.81 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 122.045 0.926 . . . . 0.0 110.905 -169.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.87 115.18 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 169.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -75.05 130.35 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.8 -24.77 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.52 -179.97 35.68 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.43 149.87 32.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.89 166.36 10.23 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.205 171.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.18 153.46 9.35 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.782 2.322 . . . . 0.0 112.455 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -56.33 -30.92 63.21 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 123.266 0.627 . . . . 0.0 111.489 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.99 -31.43 72.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.618 0.767 . . . . 0.0 111.867 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.79 -47.71 16.19 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 171.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.4 m -71.71 9.97 0.77 Allowed 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.0 mt -78.95 -28.75 43.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.679 1.191 . . . . 0.0 109.657 169.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -86.49 -50.55 6.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.567 0.747 . . . . 0.0 109.815 -172.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -166.52 169.99 13.23 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.212 1.805 . . . . 0.0 107.255 -169.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.48 131.89 35.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.211 1.369 . . . . 0.0 111.391 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -140.45 160.26 40.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.363 1.065 . . . . 0.0 110.726 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.14 143.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 125.987 1.715 . . . . 0.0 107.948 -177.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -81.81 135.25 35.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 169.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.36 146.09 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 123.117 0.567 . . . . 0.0 110.211 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.34 133.1 56.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 125.204 1.402 . . . . 0.0 107.465 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -83.37 90.94 7.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.711 0.804 . . . . 0.0 109.558 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.3 mt -51.06 115.84 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.049 1.34 . . . . 0.0 109.009 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.11 -28.33 3.73 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.988 1.28 . . . . 0.0 112.608 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.81 -32.12 41.81 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-N 117.902 0.851 . . . . 0.0 111.129 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -136.3 -51.78 0.71 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.854 1.261 . . . . 0.0 109.428 171.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 50.53 17.94 0.42 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.402 1.881 . . . . 0.0 114.023 -171.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -156.49 13.65 0.29 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.95 1.3 . . . . 0.0 111.19 -171.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -151.17 158.14 43.58 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.62 1.568 . . . . 0.0 107.7 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.5 t -134.93 148.3 29.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.963 0.905 . . . . 0.0 108.96 -169.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -131.14 178.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.829 2.452 . . . . 0.0 107.959 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 m -126.26 137.15 53.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.62 153.58 47.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.363 1.465 . . . . 0.0 107.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -70.95 139.38 50.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 105.129 -2.175 . . . . 0.0 105.129 169.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.39 -28.62 67.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.553 0.615 . . . . 0.0 109.438 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 m -57.61 -24.97 59.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.751 2.02 . . . . 0.0 113.675 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -108.21 13.22 25.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.049 1.34 . . . . 0.0 109.574 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -118.06 148.4 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 O-C-N 120.527 -1.358 . . . . 0.0 108.262 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.62 133.46 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.1 156.61 29.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.628 0.728 . . . . 0.0 110.477 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.0 mt -122.74 130.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.86 38.09 11.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.086 1.754 . . . . 0.0 113.486 173.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -94.6 172.61 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.286 0.634 . . . . 0.0 111.029 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.57 156.68 39.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.576 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.79 -39.57 77.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.55 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -74.05 -38.02 64.11 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.112 0.869 . . . . 0.0 110.644 -173.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.9 m -59.11 -50.34 74.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.106 0.963 . . . . 0.0 109.449 170.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.52 -37.79 88.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.1 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.16 -42.34 93.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.927 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.644 1.111 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.5 mt -66.75 -51.44 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.063 0.545 . . . . 0.0 109.538 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.66 91.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.933 0.333 . . . . 0.0 110.235 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.06 -41.45 99.46 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.097 0.959 . . . . 0.0 111.952 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.32 -46.01 89.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.59 -35.6 81.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.995 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -61.3 -56.2 23.17 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.974 1.261 . . . . 0.0 109.338 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -60.97 -40.13 92.22 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.848 0.859 . . . . 0.0 110.664 -174.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.91 -49.28 76.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.289 0.636 . . . . 0.0 110.601 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.37 66.61 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.275 0.63 . . . . 0.0 112.376 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -71.29 -12.34 61.39 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.171 0.896 . . . . 0.0 110.912 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.56 18.03 78.28 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -168.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . 0.343 0.5 OUTLIER 32.63 -153.96 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 129.176 2.99 . . . . 0.0 115.739 -169.763 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -127.79 -31.68 2.41 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.064 0.945 . . . . 0.0 111.876 -169.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.248 1.006 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 169.744 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.91 -34.99 76.3 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.1 p -106.68 -0.71 23.44 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -141.89 -45.91 0.35 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.814 0.734 . . . . 0.0 112.473 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.4 mt -78.06 -47.64 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.408 1.004 . . . . 0.0 109.993 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 pt -122.37 13.3 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.901 0.88 . . . . 0.0 112.001 -174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.79 -36.17 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.988 0.915 . . . . 0.0 112.553 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.38 -12.43 56.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.799 0.84 . . . . 0.0 112.171 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.28 173.13 12.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.566 0.747 . . . . 0.0 111.972 -173.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -149.54 -43.61 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.362 1.065 . . . . 0.0 109.672 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -131.29 171.41 13.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.624 1.17 . . . . 0.0 109.376 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -50.45 -40.29 50.23 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.151 1.38 . . . . 0.0 114.477 -169.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.59 -41.42 84.12 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.16 -32.77 67.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.856 -0.528 . . . . 0.0 110.359 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -67.59 -42.77 81.94 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.53 95.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 122.702 0.401 . . . . 0.0 110.248 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -63.66 -37.98 89.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.37 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.79 -51.8 56.94 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 119.457 1.026 . . . . 0.0 110.949 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -58.63 -46.61 86.71 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.241 174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -59.89 -47.79 84.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.117 0.567 . . . . 0.0 110.467 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -66.94 -41.06 87.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.748 0.703 . . . . 0.0 110.716 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.52 -48.67 79.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.441 0.564 . . . . 0.0 110.208 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -66.95 -43.34 83.43 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.057 0.543 . . . . 0.0 109.682 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.63 -34.87 74.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.439 0.696 . . . . 0.0 111.625 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -78.65 -22.17 47.25 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.7 m -101.5 -44.61 5.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -169.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -70.67 126.77 30.53 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.622 0.769 . . . . 0.0 109.724 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -85.12 43.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.327 1.451 . . . . 0.0 110.393 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -62.8 158.19 54.09 Favored Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 121.143 -0.973 . . . . 0.0 110.453 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.54 147.89 76.58 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 120.108 1.074 . . . . 0.0 111.229 -6.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -150.85 161.98 41.65 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.089 0.555 . . . . 0.0 109.768 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -82.18 146.6 29.46 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 169.47 32.11 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -100.7 121.81 42.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 169.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -83.79 101.09 11.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.67 69.87 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.366 1.467 . . . . 0.0 107.721 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 tttm . . . . . 0 C--O 1.237 0.42 0 C-N-CA 122.396 0.278 . . . . 0.0 110.431 -171.473 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.232 0.156 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -85.78 87.9 7.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.09 151.65 47.22 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.418 0.628 . . . . 0.0 110.278 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -150.5 141.28 22.76 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 m -99.42 124.37 44.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -135.61 161.47 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 122.06 0.934 . . . . 0.0 111.276 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.26 113.33 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 169.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -73.93 143.34 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -103.4 -25.77 13.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.285 0.634 . . . . 0.0 110.517 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.75 173.63 29.58 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.0 152.41 43.47 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.43 165.81 8.32 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.89 157.75 7.45 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.039 2.493 . . . . 0.0 112.846 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.45 -30.34 62.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 112.249 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.54 -31.7 73.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.566 0.621 . . . . 0.0 111.764 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.28 -43.08 19.68 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.7 m -71.09 2.52 4.41 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -83.05 -16.27 47.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.384 1.473 . . . . 0.0 110.64 169.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -110.53 -37.84 5.37 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 124.121 0.969 . . . . 0.0 110.795 -169.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -164.53 170.83 15.34 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -80.33 127.64 32.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 120.388 1.449 . . . . 0.0 108.129 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -138.49 158.89 43.4 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.905 0.882 . . . . 0.0 110.141 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.16 142.59 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.414 1.486 . . . . 0.0 107.792 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -80.59 135.33 36.05 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.58 149.21 22.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 123.355 0.662 . . . . 0.0 109.944 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.21 125.77 53.76 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.97 99.4 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.074 0.55 . . . . 0.0 109.519 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 124.2 1.0 . . . . 0.0 109.811 -177.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.7 t . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.446 0.641 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -122.98 -176.81 3.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.079 2.552 . . . . 0.0 108.042 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.5 m -128.51 139.92 52.07 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.11 154.07 48.69 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.4 1.48 . . . . 0.0 108.506 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -70.95 137.59 49.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.27 -28.74 68.32 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 169.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -61.58 -15.05 35.3 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.889 1.675 . . . . 0.0 113.477 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.31 10.02 13.58 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.769 1.228 . . . . 0.0 109.371 -177.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -110.34 146.39 15.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 122.303 1.049 . . . . 0.0 108.696 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.62 106.54 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.82 150.82 46.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.07 132.39 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.63 39.16 20.84 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.839 1.656 . . . . 0.0 113.701 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.2 m -90.28 173.76 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.36 0.664 . . . . 0.0 110.902 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.85 163.39 25.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.621 0.725 . . . . 0.0 110.246 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.19 -38.67 80.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.021 1.328 . . . . 0.0 110.831 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -70.21 -34.57 73.07 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.99 0.814 . . . . 0.0 110.866 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.1 m -69.96 -47.79 60.91 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -38.79 84.72 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.17 -50.46 73.44 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.024 0.93 . . . . 0.0 111.461 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.45 86.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.887 0.312 . . . . 0.0 111.127 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.0 mt -66.3 -50.38 68.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.302 0.641 . . . . 0.0 109.649 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.68 -46.45 84.27 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.537 0.608 . . . . 0.0 110.168 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.43 -41.88 86.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.834 0.853 . . . . 0.0 110.724 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -66.28 -35.98 81.8 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.443 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.43 -30.78 70.61 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.114 -0.991 . . . . 0.0 111.602 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -66.04 -44.1 85.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.852 1.205 . . . . 0.0 110.15 170.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -61.11 -37.6 83.35 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.189 0.449 . . . . 0.0 111.512 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 69.7 tp -61.53 -49.29 77.29 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.1 78.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.069 0.548 . . . . 0.0 111.82 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 . . . . . 0 N--CA 1.463 0.213 0 C-N-CA 124.796 1.239 . . . . 0.0 113.729 176.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.5 mt . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.36 -38.96 78.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.793 0.837 . . . . 0.0 111.891 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 p -93.13 -14.06 27.7 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -133.93 -12.69 2.54 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mt -121.32 -41.28 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.878 1.217 . . . . 0.0 109.991 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.44 15.96 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.74 . . . . 0.0 112.042 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.52 -31.48 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.778 0.831 . . . . 0.0 111.83 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.88 10.4 26.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.602 1.161 . . . . 0.0 111.801 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.11 161.98 32.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.878 1.271 . . . . 0.0 111.39 -169.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -150.13 -41.45 0.13 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.933 0.893 . . . . 0.0 110.415 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -81.98 164.28 21.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.955 0.798 . . . . 0.0 108.948 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -59.35 -39.23 82.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.787 0.835 . . . . 0.0 111.896 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.95 -42.55 73.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -66.53 -43.1 86.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -62.53 -41.67 99.02 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.31 96.31 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.988 0.358 . . . . 0.0 110.774 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -64.36 -37.04 86.12 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-O 118.482 -0.77 . . . . 0.0 111.701 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.15 -50.15 66.61 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-N 119.427 1.012 . . . . 0.0 110.676 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.45 -50.43 73.74 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.654 0.382 . . . . 0.0 111.521 173.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -61.57 -46.93 87.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.151 0.58 . . . . 0.0 110.46 -173.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -65.5 -43.05 91.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.095 0.558 . . . . 0.0 110.513 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -62.77 -46.95 85.63 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.272 0.487 . . . . 0.0 110.296 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.64 -43.59 79.98 Favored 'General case' 0 C--O 1.228 -0.048 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.46 -33.76 71.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.838 0.744 . . . . 0.0 111.998 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.15 -22.54 44.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.243 0.617 . . . . 0.0 112.517 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -100.21 -45.18 5.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -68.83 127.69 34.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.83 45.1 1.22 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.329 1.452 . . . . 0.0 110.289 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 8.2 p90 -63.07 156.91 65.53 Favored Pre-proline 0 CA--C 1.545 0.766 0 O-C-N 121.208 -0.933 . . . . 0.0 111.325 175.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -68.37 146.94 80.12 Favored 'Cis proline' 0 C--N 1.349 0.596 0 CA-C-N 119.414 0.826 . . . . 0.0 111.72 -4.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -148.21 165.29 31.38 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.098 0.959 . . . . 0.0 109.529 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -92.54 145.18 24.64 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.286 -0.883 . . . . 0.0 109.403 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.75 170.17 32.44 Favored Glycine 0 C--N 1.334 0.447 0 O-C-N 121.137 -0.977 . . . . 0.0 111.501 172.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -100.15 125.34 46.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -82.03 104.21 12.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.687 -2.338 . . . . 0.0 104.687 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -86.61 68.33 10.13 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.679 1.591 . . . . 0.0 106.927 171.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttm . . . . . 0 C--N 1.333 -0.151 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -177.33 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.9 mm . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -117.61 151.57 36.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 169.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -128.06 126.97 42.27 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 -170.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -134.5 134.59 41.64 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.0 m -89.89 125.26 35.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.66 153.98 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.328 1.061 . . . . 0.0 111.367 -169.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.39 119.54 38.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.98 114.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.68 -35.57 44.98 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 122.55 0.34 . . . . 0.0 110.514 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.431 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 166.07 179.74 39.73 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.18 148.18 41.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.9 164.53 16.67 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 123.763 0.825 . . . . 0.0 109.335 169.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -60.13 157.21 35.68 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.654 1.569 . . . . 0.0 111.089 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -31.75 64.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.055 0.942 . . . . 0.0 112.268 -175.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.03 -27.61 68.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.079 0.951 . . . . 0.0 112.344 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.79 -36.26 37.34 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.6 m -80.76 34.37 0.34 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.857 1.263 . . . . 0.0 112.902 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.71 -21.73 21.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.226 1.01 . . . . 0.0 113.462 -174.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -137.29 -17.55 1.34 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.795 0.838 . . . . 0.0 113.105 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -154.76 165.08 37.74 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.0 mmt -93.7 140.9 29.1 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -136.2 157.08 47.67 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.128 0.571 . . . . 0.0 110.186 -174.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.88 143.22 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.544 1.538 . . . . 0.0 108.065 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -80.29 132.78 35.88 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.71 149.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -175.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.88 50.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.083 0.953 . . . . 0.0 108.535 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.35 123.72 21.55 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.131 0.572 . . . . 0.0 110.733 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 123.084 0.554 . . . . 0.0 110.053 177.433 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 121.317 0.58 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -127.01 178.17 6.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.712 2.005 . . . . 0.0 109.501 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 m -127.49 136.01 51.17 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.6 154.41 47.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.201 1.4 . . . . 0.0 107.887 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.46 138.4 48.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.01 -28.22 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -60.9 -17.3 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.98 2.112 . . . . 0.0 113.606 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.56 11.38 17.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.84 1.656 . . . . 0.0 109.871 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.48 149.84 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 120.291 -1.506 . . . . 0.0 109.023 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.59 112.06 9.92 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 150.64 46.75 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.376 0.607 . . . . 0.0 110.206 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -119.44 131.97 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.502 1.521 . . . . 0.0 107.161 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.94 37.17 7.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.175 1.79 . . . . 0.0 113.436 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 109' ' ' THR . 4.3 p -92.47 173.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.556 0.742 . . . . 0.0 110.638 -174.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.68 157.63 29.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 122.093 0.949 . . . . 0.0 110.118 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.47 -42.47 96.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.83 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -74.26 -28.1 61.06 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.119 0.418 . . . . 0.0 110.801 -175.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.475 HG21 HG21 ' A' ' 105' ' ' VAL . 35.2 m -69.29 -48.52 61.42 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -40.88 97.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.96 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.67 -43.74 92.61 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.434 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.8 98.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.091 0.859 . . . . 0.0 110.707 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.82 -50.19 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.91 87.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.6 0.636 . . . . 0.0 110.484 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.59 -41.54 94.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.003 0.921 . . . . 0.0 111.456 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -65.59 -45.39 83.42 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 119.187 -0.435 . . . . 0.0 109.963 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.38 -34.44 77.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.929 0.786 . . . . 0.0 111.359 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -63.18 -52.99 60.14 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 119.213 0.915 . . . . 0.0 109.318 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -58.27 -39.99 80.68 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.67 0.788 . . . . 0.0 111.648 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.84 -53.37 58.71 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.621 1.568 . . . . 0.0 109.743 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.43 68.29 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.407 0.683 . . . . 0.0 112.377 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 . . . . . 0 CA--C 1.533 0.293 0 C-N-CA 123.989 0.916 . . . . 0.0 112.018 178.579 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.72 -37.21 86.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 112.564 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.5 p -100.84 -10.88 20.29 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.43 -20.73 1.83 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.568 1.076 . . . . 0.0 113.658 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.8 mt -107.54 -44.41 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.889 1.222 . . . . 0.0 109.689 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -122.6 14.5 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.568 0.747 . . . . 0.0 112.183 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.42 -35.18 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.465 1.106 . . . . 0.0 112.61 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -89.84 -7.31 54.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.91 0.884 . . . . 0.0 112.097 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.65 172.3 13.27 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.4 0.619 . . . . 0.0 112.005 -174.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -153.2 -43.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.619 1.168 . . . . 0.0 109.496 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.78 176.02 5.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.056 1.342 . . . . 0.0 108.935 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 120.767 -1.208 . . . . 0.0 111.4 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.22 -41.75 94.12 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.0 -34.61 76.83 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 110.75 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -66.15 -41.73 90.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.998 0.817 . . . . 0.0 110.382 175.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.0 93.43 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.46 0.573 . . . . 0.0 110.277 175.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -37.24 86.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.984 175.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.88 -51.61 56.07 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -56.77 -47.02 81.07 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.23 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.7 -53.41 58.45 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.654 0.382 . . . . 0.0 110.778 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.25 -35.07 73.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.01 -174.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.3 -47.49 84.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.9 0.773 . . . . 0.0 110.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.61 -44.4 82.19 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-O 118.921 -0.562 . . . . 0.0 109.877 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.93 -33.65 72.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.685 0.675 . . . . 0.0 111.976 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.14 -23.2 47.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.102 0.561 . . . . 0.0 112.46 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -99.99 -44.97 5.84 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.16 125.33 26.04 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.93 0.892 . . . . 0.0 109.639 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -82.58 45.86 1.01 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.507 1.523 . . . . 0.0 110.5 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.409 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 24.2 p90 -64.31 160.04 53.33 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.132 -0.98 . . . . 0.0 110.524 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.37 148.77 77.78 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 119.94 1.014 . . . . 0.0 110.945 -8.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -150.98 163.85 37.77 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.146 0.579 . . . . 0.0 109.585 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.42 147.85 26.89 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.35 -0.844 . . . . 0.0 108.965 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.06 166.47 31.51 Favored Glycine 0 N--CA 1.449 -0.495 0 O-C-N 121.248 -0.907 . . . . 0.0 110.893 172.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -98.63 126.2 44.15 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 169.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -83.11 106.87 15.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.6 64.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 106.438 -1.689 . . . . 0.0 106.438 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 tttm . . . . . 0 C--N 1.332 -0.184 0 C-N-CA 124.576 1.151 . . . . 0.0 109.49 -171.392 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -130.94 153.78 48.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.49 138.82 54.31 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -141.57 144.96 34.53 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -102.42 129.02 48.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.5 m -140.97 158.46 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 122.256 1.027 . . . . 0.0 111.347 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.13 123.0 46.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 168.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -81.49 137.62 20.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.31 -26.81 15.24 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 123.562 0.745 . . . . 0.0 109.977 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.04 177.36 35.03 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.5 mmm -62.65 148.36 46.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.19 165.16 18.13 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.2 152.96 62.36 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.264 1.309 . . . . 0.0 110.891 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -58.25 -28.35 64.84 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.469 0.707 . . . . 0.0 112.064 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.13 -29.3 70.69 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.279 1.031 . . . . 0.0 112.54 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.88 -31.38 35.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.807 0.443 . . . . 0.0 109.991 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -83.34 23.46 0.91 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.054 . . . . 0.0 112.809 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -21.68 56.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.465 1.106 . . . . 0.0 112.585 -173.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -135.33 -17.22 1.8 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -156.42 165.64 35.74 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -92.22 144.29 25.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -140.48 156.38 46.37 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.149 0.58 . . . . 0.0 110.402 -175.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.62 141.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.462 1.505 . . . . 0.0 107.462 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -77.93 134.55 37.86 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.49 150.01 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.331 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.77 135.62 53.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.065 1.346 . . . . 0.0 108.24 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.23 90.22 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.374 1.07 . . . . 0.0 110.604 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 125.566 1.547 . . . . 0.0 109.864 178.457 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.868 0.842 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -141.54 -172.73 3.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.651 2.381 . . . . 0.0 107.665 -170.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.58 140.64 51.15 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.78 48.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.42 1.488 . . . . 0.0 108.215 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -72.07 138.08 47.57 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.16 -27.2 69.21 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.5 m -64.06 -1.51 1.56 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.863 1.665 . . . . 0.0 113.709 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.45 10.77 4.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.955 1.302 . . . . 0.0 110.354 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -113.92 148.6 16.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 O-C-N 120.888 -1.132 . . . . 0.0 108.563 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -134.49 114.86 13.29 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.24 41.17 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.382 0.61 . . . . 0.0 110.84 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.9 mt -121.65 132.93 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.067 1.347 . . . . 0.0 107.395 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.96 38.77 21.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.979 1.712 . . . . 0.0 113.911 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.4 m -89.04 174.53 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.43 0.692 . . . . 0.0 111.148 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.81 162.63 23.57 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.897 0.856 . . . . 0.0 110.108 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.94 -38.8 89.85 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.631 1.172 . . . . 0.0 110.891 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -72.54 -31.03 64.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.644 0.656 . . . . 0.0 110.912 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.9 m -69.26 -46.96 66.0 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -44.68 95.15 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -62.48 -41.98 99.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.416 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.15 96.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.117 0.871 . . . . 0.0 111.074 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -66.76 -52.36 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.59 -44.8 81.41 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.188 0.595 . . . . 0.0 110.478 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.59 -36.72 85.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.443 0.697 . . . . 0.0 111.872 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -68.68 -41.0 79.85 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.796 0.438 . . . . 0.0 110.713 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.89 -30.58 70.78 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.469 -0.769 . . . . 0.0 110.903 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -64.44 -52.89 55.79 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 119.298 0.954 . . . . 0.0 108.663 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -52.5 -42.55 64.41 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.277 0.944 . . . . 0.0 111.569 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 tp -58.42 -52.92 63.59 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.231 1.012 . . . . 0.0 110.296 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.62 -25.97 68.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.409 0.684 . . . . 0.0 112.69 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 119.097 0.862 . . . . 0.0 111.64 175.861 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.232 0.173 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.7 -34.48 71.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.825 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 p -104.55 -10.19 17.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -134.61 -15.31 2.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -172.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -122.15 -43.92 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 119.9 1.227 . . . . 0.0 110.298 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.1 pt -119.85 15.28 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.779 0.832 . . . . 0.0 111.892 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.93 -33.5 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.952 0.901 . . . . 0.0 112.098 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.9 -8.03 52.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.981 0.912 . . . . 0.0 112.136 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 173.25 11.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.653 0.781 . . . . 0.0 111.52 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.55 -40.47 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.221 1.008 . . . . 0.0 110.309 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -133.0 172.39 12.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.754 1.221 . . . . 0.0 108.593 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.45 -37.69 65.48 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.047 1.739 . . . . 0.0 113.601 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.15 -40.97 86.78 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -72.26 -35.66 68.82 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.806 -0.559 . . . . 0.0 110.177 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -64.82 -41.32 95.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.958 0.799 . . . . 0.0 109.741 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.54 98.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 119.253 -0.403 . . . . 0.0 110.341 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mmt -62.97 -39.21 94.0 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.98 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.15 -50.83 62.62 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.227 0.921 . . . . 0.0 110.973 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -57.39 -49.64 75.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.863 0.331 . . . . 0.0 111.509 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.02 -47.4 86.02 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.466 0.706 . . . . 0.0 110.651 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.9 -43.27 93.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.214 0.461 . . . . 0.0 110.12 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -64.05 -46.04 86.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.858 0.299 . . . . 0.0 110.467 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.0 -43.65 87.1 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.172 0.589 . . . . 0.0 110.126 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.83 -32.75 70.95 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.675 0.671 . . . . 0.0 112.005 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.94 -21.43 40.44 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -100.59 -46.29 5.24 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.259 0.624 . . . . 0.0 112.23 -169.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.1 mt -68.92 127.29 32.58 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -169.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.99 37.45 0.6 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.846 0.858 . . . . 0.0 112.494 -171.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -58.64 154.33 35.89 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.671 0.789 . . . . 0.0 112.626 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.08 142.39 65.03 Favored 'Cis proline' 0 CA--C 1.536 0.622 0 CA-C-N 119.149 0.732 . . . . 0.0 111.557 -4.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.99 157.52 44.28 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.218 1.007 . . . . 0.0 108.788 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.7 ttt -87.62 144.35 26.72 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.142 -0.974 . . . . 0.0 109.579 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 167.87 31.52 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.278 -0.889 . . . . 0.0 111.336 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -96.35 124.6 40.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -86.13 100.1 11.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 169.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -87.44 67.79 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 tptp . . . . . 0 N--CA 1.46 0.026 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -171.546 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 mm . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -126.46 97.85 5.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.06 149.64 39.11 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.808 -0.558 . . . . 0.0 111.403 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -139.77 148.51 42.34 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 169.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 m -101.06 127.98 47.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -140.12 161.15 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.335 1.064 . . . . 0.0 111.527 -169.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.53 116.0 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 168.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.12 117.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -87.48 -27.88 22.39 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.414 0.686 . . . . 0.0 111.499 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.43 178.79 38.14 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -62.7 149.41 43.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 169.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.26 167.48 10.08 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.191 0.596 . . . . 0.0 110.135 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -51.61 154.1 9.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.969 2.446 . . . . 0.0 112.841 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.19 -28.19 64.56 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.85 0.86 . . . . 0.0 111.837 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.06 -31.02 70.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.873 0.869 . . . . 0.0 111.924 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -93.1 -39.63 10.96 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.331 0.653 . . . . 0.0 109.256 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.9 m -70.72 3.09 3.42 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.98 -20.21 49.7 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.413 1.485 . . . . 0.0 110.971 169.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -108.22 -38.91 5.63 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.176 0.59 . . . . 0.0 110.524 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -163.86 167.34 20.87 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -79.16 124.48 28.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 120.84 1.654 . . . . 0.0 108.819 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -130.38 155.64 46.05 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.232 1.013 . . . . 0.0 109.241 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.83 141.27 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.961 1.305 . . . . 0.0 108.073 -174.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.09 131.65 36.32 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.19 138.82 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.69 128.82 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.25 89.23 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.707 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.917 1.687 . . . . 0.0 109.248 178.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 CA--C 1.54 0.57 0 CA-C-O 121.622 0.725 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -118.5 177.12 4.94 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.427 2.691 . . . . 0.0 108.574 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.9 m -127.36 136.56 52.06 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.0 150.25 52.21 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.238 1.415 . . . . 0.0 108.424 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -73.33 136.56 44.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.12 -24.73 63.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.066 0.546 . . . . 0.0 110.938 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -60.84 -19.37 59.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.545 1.538 . . . . 0.0 113.142 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.72 14.64 18.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 125.046 1.338 . . . . 0.0 109.376 -176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.21 144.61 20.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 O-C-N 120.642 -1.286 . . . . 0.0 108.754 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -132.9 112.4 11.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.4 153.19 43.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.733 -0.604 . . . . 0.0 110.539 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -121.46 131.18 73.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.56 37.26 8.85 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.149 1.78 . . . . 0.0 113.44 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.522 HG21 HG21 ' A' ' 109' ' ' THR . 3.2 p -95.29 172.03 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.462 0.705 . . . . 0.0 110.742 -175.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.61 158.69 29.27 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 122.047 0.927 . . . . 0.0 110.451 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.73 -39.97 90.64 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.241 1.016 . . . . 0.0 110.855 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.78 -32.08 63.61 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.141 0.428 . . . . 0.0 110.905 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.522 HG21 HG21 ' A' ' 105' ' ' VAL . 87.4 m -67.85 -46.68 71.07 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -45.43 94.78 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.13 -41.73 97.26 Favored 'General case' 0 C--O 1.23 0.05 0 CA-C-N 118.844 0.747 . . . . 0.0 111.729 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.28 99.19 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.439 0.563 . . . . 0.0 111.071 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.2 mt -67.67 -50.41 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 C-N-CA 123.398 0.679 . . . . 0.0 109.241 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.0 71.23 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.397 0.679 . . . . 0.0 110.34 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -64.09 -33.35 75.56 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 122.964 0.506 . . . . 0.0 112.275 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.32 -40.63 90.05 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.305 -0.872 . . . . 0.0 110.432 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.87 -36.29 80.02 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.475 -0.766 . . . . 0.0 110.673 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -68.63 -40.66 80.2 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.309 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -55.88 -37.52 68.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.833 1.253 . . . . 0.0 111.04 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -50.75 71.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.494 0.718 . . . . 0.0 109.782 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.5 -21.02 59.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.534 0.734 . . . . 0.0 112.667 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 . . . . . 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.03 172.922 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--O 1.234 0.251 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.68 -41.93 98.23 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.634 0.374 . . . . 0.0 111.652 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.4 p -87.83 -13.64 41.61 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -172.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -133.08 -17.39 2.4 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -121.28 -42.92 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 119.41 1.004 . . . . 0.0 110.048 -169.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 pt -117.19 15.65 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 123.481 0.712 . . . . 0.0 111.74 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.56 -33.93 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 124.142 0.977 . . . . 0.0 111.744 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.03 -8.88 56.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.099 0.96 . . . . 0.0 112.198 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.23 172.22 12.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.469 0.652 . . . . 0.0 111.701 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -149.85 -33.03 0.19 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.397 1.079 . . . . 0.0 111.153 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -142.85 173.84 11.19 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.32 1.448 . . . . 0.0 107.468 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.66 -27.72 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.64 -40.18 92.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.677 0.671 . . . . 0.0 109.409 172.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -71.03 -31.23 67.65 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.679 -0.638 . . . . 0.0 110.599 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -65.13 -44.54 88.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.211 0.914 . . . . 0.0 109.239 174.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.19 94.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.573 0.349 . . . . 0.0 110.552 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -64.76 -38.37 90.76 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.225 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.08 -51.13 60.22 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.445 1.02 . . . . 0.0 110.798 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.53 -47.97 80.55 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.591 0.356 . . . . 0.0 111.515 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -60.89 -47.34 86.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.126 0.571 . . . . 0.0 110.271 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -67.06 -40.61 87.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.705 0.684 . . . . 0.0 110.67 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -63.51 -47.07 83.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.247 0.476 . . . . 0.0 110.264 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.49 -40.53 80.87 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.041 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -35.07 73.49 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 111.768 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -78.34 -22.85 47.39 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.3 m -100.25 -46.56 5.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -69.98 132.44 45.94 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.595 0.758 . . . . 0.0 110.214 -169.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.96 24.58 0.4 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.611 1.164 . . . . 0.0 113.56 -176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -58.49 155.21 29.64 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.178 -0.951 . . . . 0.0 111.767 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.62 144.3 63.17 Favored 'Cis proline' 0 C--N 1.351 0.702 0 CA-C-N 119.834 0.977 . . . . 0.0 111.457 -3.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -147.49 167.22 25.02 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.177 0.591 . . . . 0.0 109.838 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ttt -91.71 147.0 23.31 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.395 -0.816 . . . . 0.0 109.246 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.99 177.36 31.48 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 173.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -102.32 124.73 48.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.42 103.1 10.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 169.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -88.28 64.54 7.66 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.554 1.942 . . . . 0.0 106.208 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt . . . . . 0 C--N 1.332 -0.189 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -174.683 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -113.44 149.24 34.5 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.08 126.01 40.37 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.32 -0.862 . . . . 0.0 109.314 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -137.86 130.75 30.03 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.6 m -79.12 130.22 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 m -142.43 160.77 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 122.136 0.97 . . . . 0.0 111.937 -169.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -110.94 122.28 47.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 168.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -83.37 139.51 17.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.92 -19.6 19.41 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.131 0.572 . . . . 0.0 110.722 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.58 171.55 20.85 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.2 mtp -65.09 151.1 46.91 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.6 166.37 9.51 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 123.202 0.601 . . . . 0.0 110.338 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.66 155.53 7.61 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.034 2.489 . . . . 0.0 112.928 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.78 -29.42 62.65 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.835 0.854 . . . . 0.0 111.848 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.12 -31.9 71.59 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.69 0.796 . . . . 0.0 111.934 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.28 -38.39 12.69 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -69.56 6.51 1.07 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.28 -17.7 51.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.511 1.524 . . . . 0.0 111.804 169.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -117.75 -28.34 6.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.924 0.784 . . . . 0.0 113.018 -169.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.13 169.75 21.74 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mmt -83.65 127.99 34.19 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -132.01 156.2 46.67 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.521 0.728 . . . . 0.0 110.086 -174.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -141.48 139.54 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.955 1.302 . . . . 0.0 108.596 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.89 136.87 38.86 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.6 p -149.88 144.79 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.301 -0.249 . . . . 0.0 110.763 -168.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.81 140.06 47.8 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.747 1.219 . . . . 0.0 108.839 -175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.11 114.84 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.964 0.906 . . . . 0.0 110.845 -175.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.7 mt . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.259 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 121.684 0.754 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -140.61 -176.24 4.57 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.735 2.414 . . . . 0.0 108.501 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.49 141.29 51.04 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.71 160.23 38.17 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.84 1.256 . . . . 0.0 108.993 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -75.06 140.27 43.39 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 169.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.49 -28.41 65.36 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 169.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m -56.6 -24.31 46.81 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.804 2.042 . . . . 0.0 114.064 174.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.16 12.05 27.0 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.091 1.356 . . . . 0.0 110.075 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -119.2 151.51 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 O-C-N 120.257 -1.527 . . . . 0.0 108.643 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -138.36 134.76 34.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.51 154.25 21.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.586 0.708 . . . . 0.0 110.668 -173.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.2 mt -122.95 132.52 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.29 31.27 9.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.868 1.667 . . . . 0.0 114.444 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 m -82.99 174.26 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 121.22 -0.925 . . . . 0.0 111.135 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.33 161.12 17.42 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.986 0.898 . . . . 0.0 109.151 169.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.41 -41.17 98.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.185 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -72.11 -28.56 63.37 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.285 0.493 . . . . 0.0 111.324 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.0 m -69.45 -48.24 61.47 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.768 -0.826 . . . . 0.0 108.768 173.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.83 -41.67 99.43 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.562 0.619 . . . . 0.0 109.773 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -59.26 -44.41 92.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.943 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.11 93.71 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.042 0.837 . . . . 0.0 111.32 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.92 -50.79 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.184 0.594 . . . . 0.0 109.6 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.79 88.53 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.51 0.596 . . . . 0.0 110.524 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.54 -40.74 97.81 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 111.469 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -62.9 -43.86 97.66 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 119.08 -0.486 . . . . 0.0 109.695 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.31 -32.73 74.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.937 0.79 . . . . 0.0 111.676 -176.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -65.52 -49.85 67.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.611 1.096 . . . . 0.0 110.703 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -59.26 -42.03 90.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.741 0.816 . . . . 0.0 110.806 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.11 -52.54 65.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.434 1.894 . . . . 0.0 110.075 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.39 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.567 0.747 . . . . 0.0 112.137 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.628 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mt . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.18 -33.57 69.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 112.251 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 p -107.1 -10.59 15.85 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -132.65 -14.98 2.78 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.129 0.877 . . . . 0.0 112.882 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mt -121.37 -47.2 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.543 1.065 . . . . 0.0 109.927 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.8 pt -115.69 13.47 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.973 0.806 . . . . 0.0 112.064 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.87 -34.07 36.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.907 0.883 . . . . 0.0 112.022 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.38 -9.85 53.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.107 0.963 . . . . 0.0 112.184 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.71 178.78 7.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.922 0.889 . . . . 0.0 111.643 -175.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.46 -43.22 0.22 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.01 0.924 . . . . 0.0 110.536 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -141.52 171.6 13.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.328 1.451 . . . . 0.0 108.105 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -49.25 -37.76 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.467 1.907 . . . . 0.0 114.751 -169.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.17 -42.96 75.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.66 0.663 . . . . 0.0 109.54 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -69.54 -32.91 72.01 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.336 0.654 . . . . 0.0 110.29 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -70.04 -40.91 74.85 Favored 'General case' 0 N--CA 1.462 0.154 0 O-C-N 121.528 -0.733 . . . . 0.0 109.043 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.69 -43.38 85.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.243 0.474 . . . . 0.0 110.465 171.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -64.72 -38.55 91.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.489 0.586 . . . . 0.0 111.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.83 -51.3 57.87 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -58.41 -47.47 83.8 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.288 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -57.89 -53.46 58.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.121 0.568 . . . . 0.0 110.717 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.36 -30.61 63.42 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.096 -173.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.45 -46.3 86.9 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.142 0.883 . . . . 0.0 110.167 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.71 -45.11 87.97 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.694 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.71 -33.82 70.62 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.602 0.637 . . . . 0.0 112.02 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.33 -22.02 45.09 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.27 0.628 . . . . 0.0 112.507 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -99.32 -45.95 5.69 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.118 0.567 . . . . 0.0 111.807 -170.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.01 125.32 25.95 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.905 0.882 . . . . 0.0 109.072 -169.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -82.88 49.73 1.57 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.258 1.423 . . . . 0.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 27.6 p90 -63.72 158.43 60.44 Favored Pre-proline 0 CA--C 1.545 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 110.661 173.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.74 144.39 64.1 Favored 'Cis proline' 0 C--N 1.35 0.612 0 CA-C-N 119.829 0.975 . . . . 0.0 110.752 -7.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -146.11 161.75 39.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttt -90.99 144.68 25.41 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.532 -0.73 . . . . 0.0 109.111 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.43 170.41 32.86 Favored Glycine 0 C--N 1.332 0.353 0 O-C-N 121.509 -0.744 . . . . 0.0 111.871 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -100.6 127.45 46.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -84.03 106.55 15.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -89.8 66.57 7.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 125.071 1.348 . . . . 0.0 107.386 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.0 tttt . . . . . 0 C--N 1.332 -0.172 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -175.795 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.25 148.76 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.91 137.61 51.03 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.966 0.506 . . . . 0.0 110.104 -169.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -134.4 139.08 45.33 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.6 m -94.83 125.59 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.9 155.92 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 122.199 1.0 . . . . 0.0 110.962 -169.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -105.23 118.84 37.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 169.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -79.3 140.85 16.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 173.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.06 -24.58 14.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.235 0.614 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.43 178.04 35.96 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 93.9 mmm -62.13 150.19 39.28 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 169.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 165.93 8.17 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.35 145.78 97.94 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 CA-C-N 120.394 1.177 . . . . 0.0 110.312 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -58.77 -27.91 65.43 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.849 0.86 . . . . 0.0 111.895 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.88 -24.29 66.84 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.859 1.264 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.53 -8.35 35.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.368 0.667 . . . . 0.0 111.301 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -105.31 24.4 12.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.946 0.898 . . . . 0.0 112.537 -169.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -20.13 61.23 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.693 0.797 . . . . 0.0 112.184 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -126.72 -20.7 4.23 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -162.84 161.5 26.01 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 141.39 28.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.597 0.759 . . . . 0.0 110.299 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.77 158.3 44.16 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.154 0.982 . . . . 0.0 110.412 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.06 144.83 32.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.559 1.544 . . . . 0.0 107.797 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.75 135.18 35.94 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.5 152.01 21.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 123.131 0.572 . . . . 0.0 110.18 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.27 137.04 53.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.68 125.82 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.755 0.422 . . . . 0.0 110.5 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.5 mt . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.647 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.8 t . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -137.65 178.52 7.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 126.433 1.893 . . . . 0.0 109.025 -169.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.2 m -127.66 135.76 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.94 151.85 49.21 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.052 1.341 . . . . 0.0 107.791 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -64.04 126.66 28.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 m -69.61 -4.72 20.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.355 2.262 . . . . 0.0 113.028 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.74 12.84 9.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.876 1.67 . . . . 0.0 109.222 177.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -111.13 147.74 14.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 O-C-N 120.467 -1.396 . . . . 0.0 108.609 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.11 112.19 11.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.21 152.1 45.49 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.338 0.59 . . . . 0.0 110.472 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.6 mt -119.43 132.1 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.05 39.39 11.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.072 1.749 . . . . 0.0 113.3 173.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.424 HG21 HG21 ' A' ' 109' ' ' THR . 2.3 p -96.72 171.81 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.469 0.708 . . . . 0.0 110.508 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.22 157.68 36.46 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.328 0.585 . . . . 0.0 110.9 178.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.9 -38.32 72.64 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.621 0.768 . . . . 0.0 113.042 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -75.61 -38.12 59.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.274 0.943 . . . . 0.0 110.67 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.424 HG21 HG21 ' A' ' 105' ' ' VAL . 27.4 m -60.89 -47.32 86.95 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.153 0.981 . . . . 0.0 109.37 170.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -63.19 -45.18 92.96 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -60.39 -44.9 95.22 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.312 0.645 . . . . 0.0 111.17 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.28 95.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.172 0.442 . . . . 0.0 110.588 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.6 -51.48 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.991 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.14 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.086 0.857 . . . . 0.0 110.557 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.09 -41.64 92.94 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.707 0.803 . . . . 0.0 111.348 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -67.11 -41.2 86.6 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.211 0.46 . . . . 0.0 110.697 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.52 -44.92 77.23 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.636 0.653 . . . . 0.0 110.874 -175.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.251 1.8 p90 -76.27 -23.14 54.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.523 1.056 . . . . 0.0 111.642 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -66.88 -37.26 84.07 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.736 1.153 . . . . 0.0 109.14 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.51 -49.25 75.27 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.32 172.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -22.81 67.11 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.182 0.993 . . . . 0.0 112.76 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 . . . . . 0 CA--C 1.535 0.379 0 C-N-CA 123.993 0.917 . . . . 0.0 112.018 176.829 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.42 -40.38 94.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.08 0.552 . . . . 0.0 111.99 -174.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -83.77 -9.18 58.99 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.168 1.174 . . . . 0.0 114.168 -169.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.5 -24.74 0.14 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -79.25 -40.67 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 120.472 1.487 . . . . 0.0 109.341 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.11 15.34 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.856 0.862 . . . . 0.0 112.387 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.91 -33.58 35.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.539 -0.726 . . . . 0.0 112.265 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.72 -8.11 55.08 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.225 1.01 . . . . 0.0 112.135 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.42 171.86 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.681 -0.637 . . . . 0.0 111.613 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -150.31 -42.54 0.13 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.266 1.026 . . . . 0.0 110.156 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -121.42 178.17 4.91 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.876 1.271 . . . . 0.0 109.045 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -64.08 -37.88 89.04 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.902 -1.124 . . . . 0.0 112.183 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.69 -41.22 88.42 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -66.64 -34.19 77.31 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.008 -0.433 . . . . 0.0 110.503 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -68.22 -43.56 77.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.888 0.767 . . . . 0.0 110.12 176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.61 85.83 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.709 0.686 . . . . 0.0 110.517 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -37.47 85.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.696 -0.668 . . . . 0.0 112.114 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.57 -51.61 55.44 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -56.42 -47.36 79.19 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.22 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.46 -53.49 57.52 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.298 0.499 . . . . 0.0 110.786 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.52 -31.65 67.29 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.421 0.555 . . . . 0.0 111.276 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.67 -45.74 81.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.81 0.732 . . . . 0.0 110.314 175.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.11 -40.02 90.42 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.58 -0.724 . . . . 0.0 109.683 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.94 -34.42 73.22 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.063 0.847 . . . . 0.0 111.505 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.95 -22.09 46.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.166 0.586 . . . . 0.0 112.439 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.7 m -98.86 -47.25 5.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.001 0.52 . . . . 0.0 111.834 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.73 120.31 15.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -84.25 48.7 1.53 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.16 0.984 . . . . 0.0 109.99 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.41 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 16.8 p90 -63.45 159.43 50.83 Favored Pre-proline 0 CA--C 1.546 0.817 0 O-C-N 121.581 -0.699 . . . . 0.0 110.763 174.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.52 144.53 58.72 Favored 'Cis proline' 0 C--N 1.35 0.65 0 CA-C-N 119.998 1.035 . . . . 0.0 111.004 -5.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 160.74 41.05 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -88.58 144.32 26.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.38 171.07 31.63 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 119.201 0.909 . . . . 0.0 111.92 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -100.65 124.21 45.92 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 169.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.44 107.09 13.92 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -83.57 64.95 8.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.624 1.17 . . . . 0.0 107.865 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.248 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.3 mm . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -107.01 146.85 30.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 168.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.25 111.79 17.37 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -169.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -118.36 121.77 41.2 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -77.54 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.3 m -139.42 159.08 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.035 0.922 . . . . 0.0 110.558 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.77 123.2 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 168.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -85.01 130.52 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -88.18 -26.36 22.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.777 0.431 . . . . 0.0 110.418 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.76 176.04 34.42 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 95.0 mtp -64.09 150.69 44.96 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.31 166.79 15.11 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.9 149.71 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.628 2.219 . . . . 0.0 112.492 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.54 -30.19 64.99 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.846 0.459 . . . . 0.0 111.284 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.26 -26.61 68.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 112.52 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -81.49 -31.74 32.77 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.82 -0.55 . . . . 0.0 109.97 172.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.32 25.05 1.05 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.238 -169.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -19.95 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.33 1.052 . . . . 0.0 112.71 -175.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -133.35 -23.9 1.86 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.128 0.971 . . . . 0.0 113.049 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -155.59 158.66 38.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.53 143.85 29.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.8 158.46 44.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.967 0.907 . . . . 0.0 110.323 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.52 139.94 31.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 125.37 1.468 . . . . 0.0 108.022 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -78.78 135.13 37.01 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -139.22 151.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 123.035 0.534 . . . . 0.0 109.855 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.9 133.19 53.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -65.88 130.79 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 175.236 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -139.89 -177.27 4.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.917 2.087 . . . . 0.0 108.969 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.49 139.56 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 161.77 28.64 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.877 1.671 . . . . 0.0 107.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -85.05 144.42 28.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.51 -30.59 70.72 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 168.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -62.2 -13.17 24.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.576 1.951 . . . . 0.0 114.933 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -131.73 19.52 4.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 120.248 1.386 . . . . 0.0 112.39 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.07 152.5 13.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.651 1.581 . . . . 0.0 108.143 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.47 134.4 33.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.83 158.12 29.63 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.808 0.813 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -124.4 131.82 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.64 41.2 13.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.887 1.675 . . . . 0.0 113.143 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 109' ' ' THR . 2.3 p -98.38 171.47 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.513 0.725 . . . . 0.0 110.396 -178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 157.89 37.22 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.53 0.681 . . . . 0.0 110.802 178.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.66 -38.01 74.37 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.72 -175.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.93 -38.26 57.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.112 0.869 . . . . 0.0 110.601 -174.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.467 HG21 HG21 ' A' ' 105' ' ' VAL . 38.0 m -59.45 -50.29 74.49 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.75 0.82 . . . . 0.0 109.162 170.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.31 -38.31 89.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.286 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.96 -43.03 94.01 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.793 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.77 95.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.923 0.783 . . . . 0.0 110.612 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.37 -53.62 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.316 0.646 . . . . 0.0 109.59 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.12 91.16 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.23 0.468 . . . . 0.0 110.983 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.48 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 10.2 t70 -62.37 -46.96 86.27 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 110.292 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -63.38 -37.48 87.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.471 0.308 . . . . 0.0 111.166 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.16 -42.43 75.93 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 121.571 -0.705 . . . . 0.0 110.455 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.48 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 3.0 p90 -71.75 -33.47 68.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.431 174.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -58.82 -37.88 77.42 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 120.787 1.63 . . . . 0.0 111.725 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.83 -48.32 80.1 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.745 -0.597 . . . . 0.0 109.58 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.15 66.85 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 . . . . . 0 N--CA 1.468 0.446 0 CA-C-N 120.104 1.32 . . . . 0.0 111.674 172.149 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.15 -35.59 79.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.889 0.876 . . . . 0.0 112.502 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.8 p -102.8 -12.75 17.36 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -137.3 -14.74 1.5 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.31 -47.89 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 120.139 1.336 . . . . 0.0 109.473 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -120.16 13.46 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.471 0.708 . . . . 0.0 112.083 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.25 -35.25 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.471 1.108 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.75 -6.47 48.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.918 0.887 . . . . 0.0 111.898 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.82 165.71 24.8 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.651 -0.656 . . . . 0.0 111.662 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' H ' ' HB2' ' A' ' 27' ' ' GLU . 37.1 tt0 -148.41 -27.69 0.32 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.094 0.958 . . . . 0.0 112.164 -175.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -148.1 174.15 12.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.099 1.36 . . . . 0.0 107.909 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -56.19 -36.44 68.39 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.846 1.259 . . . . 0.0 114.304 -170.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.96 -37.95 82.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 23' ' ' GLU . 48.3 mm-40 -73.07 -34.37 66.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.701 -0.624 . . . . 0.0 110.323 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -43.84 97.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.364 0.983 . . . . 0.0 109.235 172.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.92 93.23 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.349 0.522 . . . . 0.0 110.461 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -62.99 -40.48 97.88 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.153 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.06 -51.51 57.9 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.034 0.834 . . . . 0.0 111.106 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -59.18 -45.81 90.04 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.304 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -59.78 -48.86 79.99 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.327 0.651 . . . . 0.0 110.422 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -65.15 -41.2 94.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.558 0.617 . . . . 0.0 110.58 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.68 -46.0 77.07 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.099 0.409 . . . . 0.0 110.568 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.76 -40.2 88.16 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.74 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.89 -34.56 73.34 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.932 0.787 . . . . 0.0 111.567 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -78.8 -21.73 47.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.29 0.636 . . . . 0.0 112.404 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.9 m -100.17 -45.72 5.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.962 0.505 . . . . 0.0 112.236 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -71.3 126.32 29.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -170.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.75 44.16 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.238 1.415 . . . . 0.0 110.384 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 6.5 p90 -63.57 156.73 69.82 Favored Pre-proline 0 CA--C 1.545 0.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.938 174.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.03 145.9 76.54 Favored 'Cis proline' 0 C--N 1.349 0.57 0 CA-C-N 119.649 0.91 . . . . 0.0 111.666 -4.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -147.71 167.14 25.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.272 1.029 . . . . 0.0 109.381 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -94.16 145.16 24.89 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.26 -0.9 . . . . 0.0 108.941 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.59 171.0 31.77 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 119.753 1.161 . . . . 0.0 111.544 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -101.07 124.52 46.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.54 102.67 10.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -86.85 64.52 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.495 1.918 . . . . 0.0 106.317 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.0 tttm . . . . . 0 C--N 1.33 -0.278 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -173.788 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 mm . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -113.51 149.79 33.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 104.44 -2.43 . . . . 0.0 104.44 169.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.2 126.8 41.7 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.229 -0.919 . . . . 0.0 109.224 -169.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -137.35 130.34 30.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 m -81.27 128.51 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.8 154.53 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 122.257 1.027 . . . . 0.0 110.587 -171.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.19 126.03 44.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 168.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.8 t -96.4 111.75 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -38.52 59.78 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.137 0.575 . . . . 0.0 110.216 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.07 178.24 38.18 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.0 mtp -64.4 151.29 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.32 0.581 . . . . 0.0 110.109 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 165.43 8.2 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.241 1.017 . . . . 0.0 109.897 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -62.83 163.97 20.32 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.838 1.692 . . . . 0.0 111.604 174.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.18 -28.33 64.67 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.976 0.91 . . . . 0.0 112.166 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.33 -31.2 71.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.436 0.694 . . . . 0.0 111.888 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -86.89 -43.65 12.27 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.0 m -71.85 2.65 5.16 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.04 -20.09 53.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.237 1.415 . . . . 0.0 110.837 169.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -106.87 -41.82 5.1 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.553 0.741 . . . . 0.0 110.02 -169.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -165.4 166.41 18.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.166 1.386 . . . . 0.0 107.544 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -79.47 125.92 30.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 119.905 1.23 . . . . 0.0 108.514 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -134.83 158.42 44.25 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.431 1.093 . . . . 0.0 109.485 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.99 140.98 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.989 1.315 . . . . 0.0 108.005 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -80.15 131.53 35.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.95 151.27 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.72 0.808 . . . . 0.0 109.324 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.67 126.85 48.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.28 120.38 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 123.349 0.66 . . . . 0.0 109.263 177.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -142.04 -161.11 1.18 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.924 1.69 . . . . 0.0 108.986 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -129.14 143.62 50.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.242 0.928 . . . . 0.0 109.721 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.19 156.92 45.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.985 1.714 . . . . 0.0 108.807 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -72.1 137.75 47.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 169.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.22 -29.32 68.66 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 m -61.96 -15.89 47.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.833 1.653 . . . . 0.0 113.362 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.89 12.34 16.85 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.469 1.108 . . . . 0.0 109.088 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.91 146.35 18.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.507 -1.371 . . . . 0.0 108.97 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -133.66 113.61 12.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 170.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.24 152.47 44.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.417 0.627 . . . . 0.0 110.26 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -119.49 132.36 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.62 39.46 9.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.022 1.729 . . . . 0.0 113.176 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.428 HG21 HG21 ' A' ' 109' ' ' THR . 3.7 p -95.86 173.22 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.668 0.787 . . . . 0.0 110.37 -175.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.34 158.83 25.43 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 122.142 0.972 . . . . 0.0 110.552 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.15 -41.95 97.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.761 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -74.81 -27.8 60.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.368 0.531 . . . . 0.0 110.71 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.428 HG21 HG21 ' A' ' 105' ' ' VAL . 31.2 m -69.55 -47.69 62.81 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 173.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -44.73 96.3 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.74 -43.06 98.41 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.137 0.575 . . . . 0.0 111.517 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.38 99.49 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.868 0.758 . . . . 0.0 111.227 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -66.08 -50.25 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.78 74.86 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.045 0.538 . . . . 0.0 110.379 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 8.0 t70 -65.43 -36.97 85.54 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -67.14 -36.15 81.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.928 -0.483 . . . . 0.0 110.778 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.19 -31.48 71.91 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.273 -0.892 . . . . 0.0 110.992 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 12.6 m-30 -61.73 -51.04 69.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.536 1.062 . . . . 0.0 109.253 171.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -57.96 -41.25 82.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.23 1.012 . . . . 0.0 111.555 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.07 -51.36 69.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.396 1.078 . . . . 0.0 110.4 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.2 72.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.915 0.486 . . . . 0.0 111.866 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 N--CA 1.466 0.364 0 C-N-CA 124.823 1.249 . . . . 0.0 112.656 177.023 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.21 -42.46 98.63 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.526 -173.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -100.58 -13.39 18.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.244 0.929 . . . . 0.0 113.209 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 -19.96 5.76 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.109 0.868 . . . . 0.0 112.698 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -116.47 -48.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.658 1.117 . . . . 0.0 110.283 -170.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 pt -115.73 11.83 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.064 0.847 . . . . 0.0 112.46 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.96 -35.34 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.363 1.065 . . . . 0.0 112.616 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.52 -8.34 47.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.113 0.965 . . . . 0.0 112.022 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 176.93 9.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.659 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -144.98 -44.44 0.23 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.929 0.892 . . . . 0.0 110.737 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -139.74 172.72 12.38 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.604 1.162 . . . . 0.0 109.075 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -37.63 26.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -169.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -69.79 -42.66 73.45 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -70.22 -35.79 74.11 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.333 0.653 . . . . 0.0 110.087 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -68.14 -41.64 81.36 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.698 -0.626 . . . . 0.0 109.328 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.72 91.13 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.774 0.43 . . . . 0.0 110.533 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -39.78 95.37 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.753 0.706 . . . . 0.0 111.73 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.59 62.67 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 119.195 0.907 . . . . 0.0 111.118 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -57.52 -49.02 77.68 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.969 0.507 . . . . 0.0 111.173 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.78 -47.31 86.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.647 0.779 . . . . 0.0 110.554 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -65.28 -43.46 91.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.583 0.629 . . . . 0.0 110.34 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.23 -45.75 86.81 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.008 0.367 . . . . 0.0 110.365 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.67 -44.27 82.27 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.781 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.5 -34.35 72.48 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.879 0.763 . . . . 0.0 111.898 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.4 -22.86 50.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.169 0.588 . . . . 0.0 112.56 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -100.23 -45.28 5.67 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.022 0.529 . . . . 0.0 112.168 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.17 125.9 27.84 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.869 0.867 . . . . 0.0 108.698 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -83.23 47.19 1.21 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.202 1.401 . . . . 0.0 110.232 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 29.7 p90 -64.65 159.0 64.94 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 121.287 -0.883 . . . . 0.0 110.644 175.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.46 144.78 64.53 Favored 'Cis proline' 0 C--N 1.349 0.59 0 CA-C-N 119.789 0.96 . . . . 0.0 110.721 -8.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.11 164.35 32.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -93.01 145.54 24.29 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.474 -0.766 . . . . 0.0 109.075 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.85 170.95 33.16 Favored Glycine 0 C--N 1.333 0.364 0 O-C-N 121.481 -0.762 . . . . 0.0 111.907 174.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -99.7 124.08 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -85.59 106.09 16.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.246 -2.502 . . . . 0.0 104.246 169.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -83.99 63.71 7.75 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 C--N 1.332 -0.167 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -173.665 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--O 1.234 0.253 0 CA-C-O 122.304 1.049 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.87 141.43 48.41 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.112 2.565 . . . . 0.0 104.38 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -110.82 99.9 8.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -168.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -92.87 138.05 31.83 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 m -97.57 125.18 42.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -139.21 157.63 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 122.215 1.007 . . . . 0.0 110.611 -169.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -105.54 122.36 45.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.75 135.75 24.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -93.7 -25.21 17.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.937 0.495 . . . . 0.0 110.503 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.63 176.74 32.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 -178.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.7 mmm -61.46 148.57 41.42 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.07 166.89 11.08 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.21 0.604 . . . . 0.0 110.501 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.17 155.41 9.13 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.049 2.5 . . . . 0.0 112.834 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.01 -32.44 67.93 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.251 0.62 . . . . 0.0 111.613 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.6 -27.46 66.93 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.104 0.562 . . . . 0.0 112.054 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.05 -40.78 26.99 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 171.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.0 m -78.22 8.21 5.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.687 0.795 . . . . 0.0 112.834 -172.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -21.95 59.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.629 1.971 . . . . 0.0 111.168 -176.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -124.85 -27.54 3.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.391 0.677 . . . . 0.0 112.72 -172.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -160.41 162.18 33.21 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.93 130.17 35.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.474 1.034 . . . . 0.0 108.973 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -137.12 158.38 44.57 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.895 0.878 . . . . 0.0 110.331 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.22 141.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 125.701 1.6 . . . . 0.0 107.596 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.41 135.03 37.33 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.0 m -141.07 149.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.84 129.08 49.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.34 138.69 57.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.0 mt . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 124.57 1.148 . . . . 0.0 108.855 177.707 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 121.774 0.797 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -142.02 -177.6 5.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.205 2.202 . . . . 0.0 108.346 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 m -129.84 136.89 50.09 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.52 48.06 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.256 1.423 . . . . 0.0 108.181 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -71.52 135.72 47.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 170.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.96 -28.52 67.72 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 169.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -61.55 -11.66 12.05 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.986 2.115 . . . . 0.0 113.815 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.7 16.81 4.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.573 1.149 . . . . 0.0 110.06 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.26 146.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -132.6 105.06 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.62 150.05 49.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 110.332 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.2 mt -118.75 132.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.45 39.49 9.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.028 1.731 . . . . 0.0 113.124 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.436 HG21 HG21 ' A' ' 109' ' ' THR . 2.7 p -96.43 171.41 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.626 0.77 . . . . 0.0 110.434 -174.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.13 159.11 26.9 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.055 0.931 . . . . 0.0 110.648 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.83 -41.07 95.05 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.379 1.071 . . . . 0.0 110.822 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -74.18 -28.98 61.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.365 0.529 . . . . 0.0 110.7 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.436 HG21 HG21 ' A' ' 105' ' ' VAL . 32.7 m -69.63 -47.45 63.39 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.23 -44.53 97.12 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.81 -44.33 94.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.34 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.04 99.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.251 0.932 . . . . 0.0 111.5 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.94 -50.47 74.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.69 82.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.194 0.598 . . . . 0.0 109.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.576 1.151 . . . . 0.0 111.364 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -66.3 -43.0 87.5 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.718 0.407 . . . . 0.0 110.654 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.07 -35.56 80.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.696 0.68 . . . . 0.0 111.277 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.93 -39.15 83.55 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 119.189 0.904 . . . . 0.0 110.864 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -63.01 -43.66 98.15 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.58 -49.83 69.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 109.966 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.47 -25.79 65.16 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.209 1.004 . . . . 0.0 112.982 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? . . . . . 0 N--CA 1.467 0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 111.926 -177.275 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.28 -36.84 82.39 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -98.66 -10.99 22.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -169.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.0 -18.84 0.5 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 mt -91.13 -47.5 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 120.987 1.721 . . . . 0.0 109.876 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.43 14.25 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.838 0.855 . . . . 0.0 112.165 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.87 -35.08 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.235 1.014 . . . . 0.0 112.739 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.98 -8.36 54.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.972 0.909 . . . . 0.0 112.152 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 173.85 11.15 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.292 0.637 . . . . 0.0 111.92 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.33 -45.53 0.15 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.091 0.956 . . . . 0.0 110.061 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -138.89 173.31 11.7 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.3 1.44 . . . . 0.0 108.82 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -44.72 -45.13 9.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.209 2.204 . . . . 0.0 115.009 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.6 -41.37 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -68.4 -33.66 74.63 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.217 0.607 . . . . 0.0 110.332 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.75 -44.51 77.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.56 93.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.243 0.474 . . . . 0.0 110.624 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.1 mmt -64.75 -36.41 84.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.331 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.46 -52.68 51.39 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -56.37 -48.2 77.32 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.57 0.348 . . . . 0.0 111.443 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -60.76 -48.98 79.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.922 0.489 . . . . 0.0 110.755 -176.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -66.97 -39.69 87.26 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.504 0.593 . . . . 0.0 110.585 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.57 -47.39 81.73 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.265 0.484 . . . . 0.0 110.312 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.96 -42.76 94.32 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 123.156 0.582 . . . . 0.0 109.635 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.6 -33.44 72.75 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.718 0.69 . . . . 0.0 111.71 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -80.44 -22.08 41.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.155 0.582 . . . . 0.0 112.448 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -100.91 -45.46 5.43 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.0 127.41 32.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.632 0.773 . . . . 0.0 109.354 -169.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.15 43.43 0.87 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.383 1.473 . . . . 0.0 110.378 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -63.44 158.0 60.99 Favored Pre-proline 0 CA--C 1.547 0.828 0 O-C-N 121.042 -1.036 . . . . 0.0 110.264 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -65.75 144.93 66.4 Favored 'Cis proline' 0 C--N 1.348 0.53 0 CA-C-N 119.845 0.98 . . . . 0.0 110.887 -7.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -146.98 161.38 40.91 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -84.67 147.05 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.02 169.63 33.13 Favored Glycine 0 N--CA 1.45 -0.383 0 O-C-N 121.41 -0.806 . . . . 0.0 111.652 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -97.44 128.92 44.63 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 169.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -89.08 106.85 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -80.83 76.12 7.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 169.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.2 tttt . . . . . 0 C--N 1.332 -0.188 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 mm . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -136.45 105.98 6.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -76.29 134.56 39.73 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.258 0.623 . . . . 0.0 109.965 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -126.79 154.31 44.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.4 m -104.71 125.75 51.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.32 160.36 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.843 0.83 . . . . 0.0 110.323 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -108.89 120.04 41.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -79.66 136.96 22.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.08 -25.47 15.88 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.748 0.419 . . . . 0.0 111.033 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.74 171.9 28.43 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 108.743 -1.743 . . . . 0.0 108.743 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.2 mtp -66.09 152.43 44.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.87 164.22 18.18 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 123.409 0.684 . . . . 0.0 110.072 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -64.31 160.85 36.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.077 1.851 . . . . 0.0 111.589 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -26.77 49.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.906 1.282 . . . . 0.0 113.288 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.5 -31.37 72.51 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.759 0.824 . . . . 0.0 111.747 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -82.41 -46.99 12.8 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.2 m -69.84 12.12 0.23 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -169.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.95 -7.52 57.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.611 1.564 . . . . 0.0 111.398 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -118.89 -34.26 3.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.115 0.966 . . . . 0.0 112.733 -169.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -163.5 174.31 12.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 128.023 2.529 . . . . 0.0 104.25 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.4 mmt -88.74 138.41 31.45 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 169.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -139.37 158.31 44.37 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.986 -174.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 m -142.38 142.49 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.579 1.551 . . . . 0.0 108.18 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -80.09 135.85 36.42 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.14 148.61 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 123.218 0.607 . . . . 0.0 109.914 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.47 132.06 55.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -85.21 90.36 7.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -169.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 125.274 1.43 . . . . 0.0 108.953 -178.745 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 121.603 0.716 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -133.68 -177.42 4.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.608 2.363 . . . . 0.0 108.271 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -127.58 139.72 52.58 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.18 157.99 40.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 107.532 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -76.51 142.87 40.75 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.985 -1.858 . . . . 0.0 105.985 169.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.0 -30.01 70.04 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 168.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -58.37 -18.65 29.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.827 2.051 . . . . 0.0 113.733 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.95 6.26 19.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.262 1.425 . . . . 0.0 110.344 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.5 mm -112.36 146.17 17.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.779 -1.201 . . . . 0.0 108.661 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -130.54 102.58 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 150.39 48.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 0.0 110.653 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -122.32 133.17 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 49.93 41.84 23.47 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.837 1.655 . . . . 0.0 113.468 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.71 174.25 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.488 0.715 . . . . 0.0 110.817 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.17 163.35 26.54 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.74 0.781 . . . . 0.0 110.3 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.4 -37.96 82.45 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.965 1.306 . . . . 0.0 110.839 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -72.24 -32.67 66.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.031 0.832 . . . . 0.0 111.0 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.7 m -69.77 -48.65 58.46 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -64.57 -33.98 77.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.197 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.44 -48.06 76.75 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 123.953 0.901 . . . . 0.0 110.539 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.17 86.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.522 0.601 . . . . 0.0 110.765 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.62 -52.54 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.79 89.17 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.352 0.524 . . . . 0.0 110.31 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.51 -39.22 90.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.329 1.052 . . . . 0.0 110.793 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -65.05 -44.43 89.05 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.028 0.531 . . . . 0.0 110.502 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.5 -31.85 73.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.29 -35.8 63.74 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.814 1.188 . . . . 0.0 111.344 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -63.63 -41.63 98.23 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.417 -0.802 . . . . 0.0 110.159 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.34 -52.85 62.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.195 0.998 . . . . 0.0 110.47 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.47 59.16 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.33 1.052 . . . . 0.0 112.516 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.16 -38.38 88.82 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.092 0.957 . . . . 0.0 112.17 -172.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.1 p -105.64 -3.72 21.91 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -135.85 -19.5 1.56 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.015 0.825 . . . . 0.0 112.985 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt -117.09 -49.91 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.347 0.976 . . . . 0.0 109.566 -172.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -116.27 13.84 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.617 0.767 . . . . 0.0 111.917 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.2 -35.63 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.532 1.133 . . . . 0.0 112.532 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.17 -14.71 46.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.215 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.58 168.45 15.35 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.89 0.876 . . . . 0.0 111.584 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -147.86 -37.79 0.19 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.921 0.888 . . . . 0.0 109.978 169.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -114.11 170.17 8.48 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.455 1.025 . . . . 0.0 110.099 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -55.88 -42.08 75.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.569 1.147 . . . . 0.0 112.008 -169.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.6 -41.42 79.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.594 0.757 . . . . 0.0 110.389 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -62.27 -45.43 93.3 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.94 93.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -62.41 -37.67 86.71 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 118.648 -0.692 . . . . 0.0 112.212 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.42 67.89 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.356 0.98 . . . . 0.0 110.75 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -57.33 -46.4 83.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.731 0.413 . . . . 0.0 111.013 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -61.99 -48.28 81.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.88 0.872 . . . . 0.0 111.079 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -63.41 -42.78 98.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.558 0.617 . . . . 0.0 110.071 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.44 -46.58 82.54 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.658 0.208 . . . . 0.0 110.572 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.57 -43.77 84.07 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.927 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.63 -33.6 71.73 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.647 0.658 . . . . 0.0 111.946 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.92 -22.65 45.5 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -100.64 -45.48 5.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.5 mt -67.69 127.39 32.6 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.54 46.45 1.3 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 110.24 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 24.5 p90 -64.86 160.76 52.36 Favored Pre-proline 0 CA--C 1.546 0.805 0 O-C-N 121.245 -0.909 . . . . 0.0 111.003 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.57 142.02 24.18 Favored 'Cis proline' 0 C--N 1.35 0.643 0 CA-C-N 119.903 1.001 . . . . 0.0 111.52 -10.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -144.45 160.58 40.84 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 118.318 0.508 . . . . 0.0 109.827 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ttt -88.93 145.53 25.47 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.535 -0.728 . . . . 0.0 109.089 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.4 171.23 33.5 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 121.567 -0.708 . . . . 0.0 111.351 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -99.81 122.51 42.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.08 108.29 14.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 102.463 -3.162 . . . . 0.0 102.463 168.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -90.07 64.33 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm . . . . . 0 N--CA 1.451 -0.396 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.492 -169.785 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.79 98.27 11.51 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.68 131.34 45.41 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 121.416 -0.802 . . . . 0.0 108.979 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -137.05 135.82 37.87 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -93.64 126.29 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 m -139.17 156.32 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 122.131 0.967 . . . . 0.0 110.882 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -105.53 117.45 34.04 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -78.27 138.8 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.88 -24.12 14.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.041 0.536 . . . . 0.0 110.997 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.456 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.05 173.38 30.64 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 91.7 mmm -62.31 147.71 47.33 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 169.16 9.23 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.519 0.728 . . . . 0.0 110.373 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -52.49 155.46 9.91 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.078 2.519 . . . . 0.0 113.282 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.99 -29.13 65.01 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.808 0.843 . . . . 0.0 111.858 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.24 -29.88 70.71 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.266 0.626 . . . . 0.0 111.651 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -79.92 -47.04 15.68 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 171.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.2 m -71.52 13.48 0.25 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.35 -9.77 57.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.468 1.507 . . . . 0.0 111.797 170.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.75 -38.03 3.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.802 0.841 . . . . 0.0 112.164 -169.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -155.64 175.22 14.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -87.45 134.3 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -134.35 156.37 48.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 109.775 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.76 141.03 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 125.594 1.558 . . . . 0.0 107.692 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.87 135.68 37.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 169.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.41 150.61 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 123.347 0.659 . . . . 0.0 109.694 -175.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.05 140.38 51.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -71.96 127.61 33.11 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.791 0.436 . . . . 0.0 110.79 -176.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 0.0 109.352 175.279 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.0 t . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -138.62 179.72 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.491 1.916 . . . . 0.0 108.778 -169.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.8 m -129.35 138.58 51.62 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.88 154.44 49.2 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.331 1.452 . . . . 0.0 107.556 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -72.43 143.04 48.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.93 -29.49 69.65 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 168.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 m -60.88 -13.49 16.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.57 1.948 . . . . 0.0 113.734 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.43 6.0 18.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.23 1.412 . . . . 0.0 110.497 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.54 151.29 20.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.665 1.586 . . . . 0.0 108.776 -169.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -133.2 111.43 10.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.76 50.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.068 0.461 . . . . 0.0 110.012 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.8 mt -118.42 132.41 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.02 39.65 8.12 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.044 1.737 . . . . 0.0 112.994 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 109' ' ' THR . 2.7 p -93.28 170.82 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.606 0.762 . . . . 0.0 110.492 -172.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -66.15 159.33 26.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 122.19 0.995 . . . . 0.0 110.554 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.672 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.05 -29.44 61.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 0.513 . . . . 0.0 110.632 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.462 HG21 HG21 ' A' ' 105' ' ' VAL . 33.1 m -67.43 -49.74 62.41 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 173.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.79 -35.02 79.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.97 -0.538 . . . . 0.0 111.243 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.49 -43.09 86.32 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.811 0.732 . . . . 0.0 110.897 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.49 96.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.925 0.784 . . . . 0.0 110.961 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mt -62.97 -50.49 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.4 91.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.505 0.593 . . . . 0.0 110.368 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.33 -38.74 92.09 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.197 0.599 . . . . 0.0 111.888 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.88 -40.52 95.24 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.443 0.297 . . . . 0.0 110.554 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.0 mt -66.76 -35.39 79.98 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.892 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.94 -46.84 89.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.462 1.028 . . . . 0.0 109.629 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -61.91 -42.98 99.71 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.026 -0.421 . . . . 0.0 111.211 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.02 -46.51 88.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.402 0.681 . . . . 0.0 109.91 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.48 -16.55 63.48 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.746 0.818 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 118.726 0.694 . . . . 0.0 112.282 -171.854 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.234 0.266 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.01 -41.18 96.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.61 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.9 p -94.88 -6.94 41.53 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -139.24 -19.57 0.97 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.3 mt -117.49 -44.1 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 119.565 1.075 . . . . 0.0 109.817 -170.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 pt -118.28 14.28 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.594 0.758 . . . . 0.0 111.747 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.32 -35.2 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.431 1.092 . . . . 0.0 112.187 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -89.06 -10.47 47.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.932 0.893 . . . . 0.0 112.08 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 171.67 14.86 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.715 0.806 . . . . 0.0 111.664 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -138.79 -41.88 0.48 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.089 0.955 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -141.74 172.46 12.66 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 109.303 -175.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -38.67 20.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -169.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.18 -44.19 69.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -68.11 -34.79 77.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.018 0.527 . . . . 0.0 110.176 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -68.89 -42.17 77.29 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.56 93.56 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.102 0.41 . . . . 0.0 110.151 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -63.63 -38.21 90.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.968 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.25 -50.87 61.18 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 119.182 0.901 . . . . 0.0 111.013 175.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -57.55 -49.28 76.89 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.01 0.405 . . . . 0.0 111.167 174.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -60.04 -47.43 85.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.752 0.821 . . . . 0.0 110.9 -174.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.81 -43.96 87.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.305 0.502 . . . . 0.0 110.139 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -63.29 -45.1 92.98 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.663 0.385 . . . . 0.0 110.47 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.73 -46.07 76.65 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.855 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.05 -33.68 72.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.017 0.826 . . . . 0.0 112.027 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -75.98 -25.58 55.94 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.141 0.577 . . . . 0.0 112.379 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.1 m -96.83 -46.84 6.09 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.197 0.453 . . . . 0.0 111.636 -170.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.12 121.92 16.25 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -83.93 63.36 7.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.965 0.906 . . . . 0.0 109.971 -174.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -61.54 157.29 47.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.026 0.93 . . . . 0.0 112.36 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.89 151.54 95.83 Favored 'Cis proline' 0 C--N 1.349 0.559 0 N-CA-C 108.893 -1.234 . . . . 0.0 108.893 -10.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -141.43 158.35 43.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.433 0.561 . . . . 0.0 110.78 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.24 144.37 26.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.54 169.22 32.82 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -96.93 126.38 42.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.79 103.01 12.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 104.211 -2.514 . . . . 0.0 104.211 169.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -96.05 65.97 2.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 C--O 1.232 0.15 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.744 -173.015 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mm . . . . . 0 C--O 1.233 0.235 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.16 151.24 27.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 169.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -128.54 137.07 51.56 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.356 -0.84 . . . . 0.0 111.411 -169.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -136.11 142.78 44.31 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 168.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -95.51 126.61 40.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.34 156.37 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 122.26 1.029 . . . . 0.0 111.622 -169.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -105.73 117.84 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 169.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -82.88 142.03 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.45 -22.04 13.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.241 0.616 . . . . 0.0 111.602 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.65 175.64 31.88 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -63.5 153.1 36.61 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 169.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.67 169.36 6.55 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 122.948 0.499 . . . . 0.0 109.823 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.56 154.3 9.22 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.715 2.277 . . . . 0.0 112.592 170.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.52 -29.08 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.672 0.789 . . . . 0.0 111.999 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.84 -32.14 73.3 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.602 0.761 . . . . 0.0 111.906 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.43 -43.98 16.62 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 173.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.2 m -72.95 7.47 2.03 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.74 -12.35 51.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.569 1.548 . . . . 0.0 111.602 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -115.95 -38.84 3.56 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.573 0.749 . . . . 0.0 111.474 -169.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -159.76 172.77 17.09 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -82.47 136.33 34.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 121.064 1.756 . . . . 0.0 108.45 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -140.2 156.87 46.33 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.064 0.946 . . . . 0.0 109.75 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.8 m -140.2 142.76 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 125.503 1.521 . . . . 0.0 108.17 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.91 135.75 37.08 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.88 151.06 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.201 0.601 . . . . 0.0 110.057 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.92 139.79 52.8 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.52 127.51 32.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 122.883 0.473 . . . . 0.0 110.823 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 123.436 0.695 . . . . 0.0 109.38 175.162 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -137.89 179.82 6.2 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 126.438 1.895 . . . . 0.0 109.008 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 m -129.08 136.3 50.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 171.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.75 149.91 49.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 107.683 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -68.32 137.23 54.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 169.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.92 -27.97 68.59 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 169.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -60.88 -13.57 16.57 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.362 2.265 . . . . 0.0 113.243 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.38 11.89 8.72 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.578 1.551 . . . . 0.0 109.168 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.3 147.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 O-C-N 120.779 -1.2 . . . . 0.0 107.942 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -136.29 116.18 13.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.25 152.46 45.02 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.453 0.644 . . . . 0.0 110.259 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.48 131.49 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.35 37.92 9.53 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.292 1.837 . . . . 0.0 113.483 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.46 HG21 HG21 ' A' ' 109' ' ' THR . 1.6 p -94.21 169.72 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 121.748 -0.595 . . . . 0.0 110.882 -174.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.37 159.19 35.0 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 111.117 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.35 -37.35 72.44 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.799 0.84 . . . . 0.0 113.117 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.05 -39.16 56.15 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.373 0.988 . . . . 0.0 110.417 -174.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.46 HG21 HG21 ' A' ' 105' ' ' VAL . 28.5 m -60.38 -46.87 88.43 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.669 0.788 . . . . 0.0 109.412 170.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.0 -45.1 95.09 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.93 -41.08 97.53 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 118.97 0.804 . . . . 0.0 111.561 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.42 97.51 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.857 0.753 . . . . 0.0 111.383 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.21 -49.86 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.75 80.21 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.453 0.701 . . . . 0.0 109.841 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.34 -43.7 96.2 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.996 0.919 . . . . 0.0 112.08 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.77 -0.581 . . . . 0.0 110.165 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.63 -33.95 73.36 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.634 0.652 . . . . 0.0 111.449 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.92 -46.79 87.78 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 119.326 0.966 . . . . 0.0 109.792 173.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -63.86 -41.89 97.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.717 0.807 . . . . 0.0 109.253 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.19 -51.22 68.83 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.523 0.729 . . . . 0.0 109.58 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -25.66 68.07 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.971 1.308 . . . . 0.0 112.669 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 . . . . . 0 CA--C 1.533 0.3 0 C-N-CA 123.793 0.837 . . . . 0.0 113.135 -179.77 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.67 -34.93 78.95 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -170.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.6 p -107.55 2.24 23.93 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.17 -46.96 0.26 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.766 0.712 . . . . 0.0 112.566 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt -78.41 -45.98 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.46 1.027 . . . . 0.0 110.143 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.8 pt -122.41 14.01 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 112.011 -175.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.1 -34.99 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 O-C-N 121.439 -0.788 . . . . 0.0 112.172 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.31 -13.75 58.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.237 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.94 175.25 10.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.846 0.859 . . . . 0.0 111.817 -175.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -149.0 -47.24 0.14 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.229 1.011 . . . . 0.0 109.295 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -123.62 173.07 8.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.327 1.051 . . . . 0.0 109.442 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -52.11 -44.11 64.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.713 1.205 . . . . 0.0 113.348 -168.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.13 -39.31 82.74 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -70.26 -35.49 73.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.308 0.643 . . . . 0.0 110.327 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -66.46 -42.79 87.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.131 0.878 . . . . 0.0 109.57 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.77 94.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.589 0.355 . . . . 0.0 110.786 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.9 mmt -65.92 -35.7 81.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.753 -0.642 . . . . 0.0 112.326 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.95 59.95 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -57.7 -48.53 79.3 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 118.875 -0.584 . . . . 0.0 111.488 172.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.43 -53.56 56.77 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.843 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -72.51 -32.9 66.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.873 -0.584 . . . . 0.0 111.117 -174.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.03 -46.93 86.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.001 0.819 . . . . 0.0 110.092 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.39 -43.17 82.01 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.72 -32.85 70.91 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.831 0.741 . . . . 0.0 111.957 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.08 -22.08 39.48 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.7 m -100.36 -46.04 5.38 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.815 -0.553 . . . . 0.0 112.098 -169.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.36 123.18 20.52 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -170.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.56 51.57 2.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.607 0.763 . . . . 0.0 109.966 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -62.79 156.93 62.87 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 121.816 -0.552 . . . . 0.0 111.204 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -68.1 145.16 74.88 Favored 'Cis proline' 0 CA--C 1.536 0.583 0 CA-C-N 119.356 0.806 . . . . 0.0 111.473 -5.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -146.91 160.53 42.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.348 1.059 . . . . 0.0 108.969 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.44 143.64 26.86 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.143 -0.973 . . . . 0.0 109.411 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.97 167.9 31.76 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 119.407 1.003 . . . . 0.0 111.348 171.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -96.1 127.35 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.99 102.09 12.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -89.78 66.23 7.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 tttm . . . . . 0 C--N 1.333 -0.148 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -173.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.9 mm . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -112.24 153.06 27.7 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 169.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -128.24 127.04 42.09 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.24 -0.912 . . . . 0.0 109.598 -172.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -131.46 147.84 52.59 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -99.66 131.69 45.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.8 m -142.36 156.9 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 122.276 1.036 . . . . 0.0 110.911 -169.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.79 114.09 27.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 t -76.22 124.5 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.32 -31.99 12.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.208 0.603 . . . . 0.0 111.994 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.33 171.79 33.77 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.9 mmm -64.37 145.97 55.2 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.73 167.41 16.53 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.58 142.57 23.75 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.565 2.177 . . . . 0.0 112.739 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -59.33 -27.95 66.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.531 0.732 . . . . 0.0 111.438 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -62.05 -24.78 67.29 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -91.42 -24.09 19.83 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.889 -0.507 . . . . 0.0 110.776 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -83.63 24.81 0.83 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.963 0.905 . . . . 0.0 113.403 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -16.17 53.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.851 0.861 . . . . 0.0 112.969 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -130.16 -26.87 2.31 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -169.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.7 140.44 32.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 171.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -134.64 153.15 52.11 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.271 0.628 . . . . 0.0 109.513 -177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.36 141.86 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.671 1.188 . . . . 0.0 108.543 -174.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.99 140.2 38.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 171.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.9 m -142.62 151.45 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 122.996 0.518 . . . . 0.0 110.17 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.5 139.68 53.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.04 140.41 52.82 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.858 0.463 . . . . 0.0 111.861 -175.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.48 . . . . 0.0 108.856 172.515 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 C--O 1.235 0.333 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -135.92 179.14 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.407 1.883 . . . . 0.0 108.47 -172.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.42 137.12 50.72 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.96 155.06 43.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.18 1.392 . . . . 0.0 107.937 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.61 142.79 42.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.33 -28.65 69.36 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -57.9 -16.53 12.32 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.989 1.716 . . . . 0.0 114.286 171.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -119.65 10.94 11.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.031 1.332 . . . . 0.0 109.671 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -114.96 149.08 17.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 120.533 -1.354 . . . . 0.0 108.382 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 156.02 39.62 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.657 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -122.66 131.05 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.8 37.11 9.17 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.101 1.76 . . . . 0.0 113.541 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.492 HG21 HG21 ' A' ' 109' ' ' THR . 3.1 p -93.96 173.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.383 0.673 . . . . 0.0 110.641 -176.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.7 159.95 26.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 122.14 0.972 . . . . 0.0 110.565 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.44 -39.46 90.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.934 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -74.9 -34.34 62.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.505 0.593 . . . . 0.0 110.806 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.492 HG21 HG21 ' A' ' 105' ' ' VAL . 65.2 m -64.85 -48.72 73.31 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -65.97 -36.01 82.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.49 -176.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.83 -42.59 94.84 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 119.004 0.82 . . . . 0.0 111.18 176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.49 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.202 0.455 . . . . 0.0 110.607 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.53 -51.06 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.31 -49.91 74.61 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.157 0.583 . . . . 0.0 110.129 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.28 -31.44 72.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -68.27 -43.94 76.68 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.813 -0.555 . . . . 0.0 110.4 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.86 -36.61 84.9 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.371 -0.83 . . . . 0.0 110.168 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -66.3 -36.0 81.81 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.438 -0.789 . . . . 0.0 110.39 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -67.43 -41.76 84.28 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.351 -1.468 . . . . 0.0 110.098 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.99 -50.4 72.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.182 0.993 . . . . 0.0 109.802 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.74 68.53 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.62 176.153 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.05 -32.31 69.64 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.02 1.328 . . . . 0.0 112.313 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -105.93 7.43 32.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 112.751 -172.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.83 -50.22 0.4 Allowed 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.897 0.771 . . . . 0.0 111.893 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 mt -80.92 -46.66 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.0 pt -120.4 12.28 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 123.338 0.655 . . . . 0.0 112.354 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.94 -34.16 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 123.866 0.866 . . . . 0.0 112.117 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -88.83 -9.29 52.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.957 0.903 . . . . 0.0 112.127 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.69 172.34 13.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.385 0.674 . . . . 0.0 111.722 -175.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -152.58 -40.3 0.1 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.339 1.055 . . . . 0.0 110.186 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.35 173.01 11.72 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.95 1.3 . . . . 0.0 108.653 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.96 -39.52 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 125.863 1.665 . . . . 0.0 113.368 -172.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 -42.02 85.54 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -69.45 -35.27 75.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.969 -0.457 . . . . 0.0 110.352 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -67.14 -41.91 85.3 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.013 0.824 . . . . 0.0 109.971 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.51 97.79 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.461 0.573 . . . . 0.0 110.209 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -64.2 -38.65 91.81 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.686 -0.674 . . . . 0.0 112.296 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.83 62.0 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.234 0.924 . . . . 0.0 110.816 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.24 -47.35 85.69 Favored 'General case' 0 C--O 1.231 0.114 0 O-C-N 122.652 -0.322 . . . . 0.0 111.476 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.76 -48.96 79.6 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.524 0.73 . . . . 0.0 110.848 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.39 -41.9 93.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.18 0.445 . . . . 0.0 110.182 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.63 -46.6 84.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.026 0.375 . . . . 0.0 110.588 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.21 -44.72 87.38 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.01 0.524 . . . . 0.0 109.877 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.67 -33.3 71.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.413 0.551 . . . . 0.0 111.968 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.18 -22.35 45.09 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -100.44 -46.87 5.09 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.956 0.502 . . . . 0.0 112.336 -169.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.66 131.18 45.1 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -78.2 24.09 0.26 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.424 ' HA ' ' C ' ' A' ' 43' ' ' PRO . 23.6 p90 -52.44 155.73 3.49 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.28 1.032 . . . . 0.0 113.434 -169.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 42' ' ' PHE . 50.5 Cg_exo -56.53 141.85 17.82 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.562 0.879 . . . . 0.0 113.158 -9.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.57 153.73 42.11 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.3 ttt -84.79 145.44 27.88 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.6 -0.688 . . . . 0.0 109.367 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.77 172.88 34.47 Favored Glycine 0 N--CA 1.45 -0.419 0 O-C-N 121.463 -0.773 . . . . 0.0 112.04 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -102.48 124.51 48.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 169.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -81.48 106.69 13.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 169.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -93.14 64.34 3.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 N--CA 1.46 0.073 0 C-N-CA 123.984 0.914 . . . . 0.0 109.018 -176.048 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -136.5 139.78 42.54 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -112.16 132.02 55.13 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.731 0.413 . . . . 0.0 109.966 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.8 120.24 14.94 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -75.97 131.77 39.79 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.0 156.99 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 122.323 1.058 . . . . 0.0 111.023 -171.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -101.97 115.67 31.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.401 -2.815 . . . . 0.0 103.401 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -75.54 134.67 28.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 169.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -99.59 -19.38 16.88 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.35 0.66 . . . . 0.0 111.225 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.27 175.55 35.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -64.29 149.91 47.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.53 164.57 14.86 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.779 0.832 . . . . 0.0 110.764 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.92 151.87 68.48 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.132 1.888 . . . . 0.0 110.999 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.5 -28.29 59.45 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -169.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.18 -35.82 80.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.89 0.768 . . . . 0.0 111.241 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.78 -38.91 57.87 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.64 5.59 1.81 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.6 mt -91.57 -9.16 45.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.346 1.458 . . . . 0.0 111.322 169.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -115.37 -40.6 3.4 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.931 0.893 . . . . 0.0 111.133 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -158.69 173.52 16.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.703 2.401 . . . . 0.0 104.562 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.2 mmt -83.04 136.51 34.47 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 169.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.26 156.24 47.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.688 0.795 . . . . 0.0 109.768 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.7 142.21 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.406 1.482 . . . . 0.0 107.793 -176.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.6 135.19 38.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.99 148.04 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 123.262 0.625 . . . . 0.0 110.389 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.6 132.64 54.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.052 1.341 . . . . 0.0 107.807 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -81.36 89.55 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.44 1.096 . . . . 0.0 110.547 -172.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.9 mt . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.592 1.557 . . . . 0.0 109.795 179.64 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.707 0.765 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -138.58 -173.14 3.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.736 2.415 . . . . 0.0 107.751 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 m -129.45 139.29 51.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.24 152.34 48.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.596 1.558 . . . . 0.0 108.053 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.61 135.82 48.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.03 -28.11 69.36 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.2 m -63.31 -9.45 11.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.183 1.793 . . . . 0.0 113.469 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.17 11.69 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.429 1.492 . . . . 0.0 109.416 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -113.09 147.71 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 120.643 -1.286 . . . . 0.0 108.856 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -129.88 112.5 13.62 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.23 50.7 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.9 mt -115.83 132.26 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.35 39.96 9.88 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.019 1.727 . . . . 0.0 113.079 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG21 HG21 ' A' ' 109' ' ' THR . 1.2 p -95.47 165.51 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.56 0.744 . . . . 0.0 110.383 -173.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.66 159.21 25.4 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 122.529 1.157 . . . . 0.0 110.929 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.9 -43.28 81.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.185 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -76.36 -30.97 57.79 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.682 0.674 . . . . 0.0 110.78 -174.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.415 HG21 HG21 ' A' ' 105' ' ' VAL . 90.8 m -66.45 -48.94 68.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -63.72 -39.19 93.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.051 -0.5 . . . . 0.0 111.039 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.36 -42.85 92.36 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 118.585 -0.722 . . . . 0.0 110.835 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.93 96.78 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.28 0.946 . . . . 0.0 111.249 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.77 -53.01 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.79 82.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.395 0.278 . . . . 0.0 110.725 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.97 -38.22 87.99 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.738 0.815 . . . . 0.0 112.038 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -63.42 -42.58 98.72 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.494 0.318 . . . . 0.0 110.193 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.11 -30.24 70.71 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.056 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -65.08 -47.71 76.29 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 120.037 1.29 . . . . 0.0 110.049 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -60.16 -40.02 88.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.227 0.611 . . . . 0.0 110.868 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.53 -51.5 67.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.565 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -25.53 67.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.755 0.822 . . . . 0.0 112.014 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 C-N-CA 124.018 0.927 . . . . 0.0 113.227 174.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.48 -41.88 92.84 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.199 0.6 . . . . 0.0 111.999 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 p -90.83 2.49 56.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -145.15 -64.21 0.34 Allowed 'General case' 0 C--N 1.338 0.094 0 CA-C-N 118.67 0.668 . . . . 0.0 111.617 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.03 -41.3 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.37 0.532 . . . . 0.0 111.749 -169.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 pt -124.48 15.31 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 118.893 0.769 . . . . 0.0 112.426 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.59 -34.47 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.548 -0.72 . . . . 0.0 112.42 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -87.0 -11.88 49.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.04 0.936 . . . . 0.0 112.155 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.1 171.75 14.54 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.827 0.851 . . . . 0.0 111.7 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -140.35 -46.0 0.42 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.57 172.53 12.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.596 1.159 . . . . 0.0 109.387 -173.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -48.91 -41.28 33.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.322 1.449 . . . . 0.0 114.489 -169.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.39 -43.6 73.18 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.98 -35.75 77.08 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.003 0.521 . . . . 0.0 110.115 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -69.57 -42.32 74.68 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 121.639 -0.663 . . . . 0.0 109.663 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.53 91.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.152 0.433 . . . . 0.0 110.326 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -66.99 -36.55 82.42 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.598 0.636 . . . . 0.0 112.184 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.52 -53.08 47.81 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 173.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -54.42 -48.7 71.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.006 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.08 -53.71 55.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.065 0.546 . . . . 0.0 111.199 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -74.62 -32.6 62.37 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 112.044 -169.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -68.77 -40.22 79.83 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 119.503 1.047 . . . . 0.0 110.65 173.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.3 -42.14 96.52 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.274 175.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.46 -33.33 71.16 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.858 0.754 . . . . 0.0 111.791 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.74 -21.83 44.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.287 0.635 . . . . 0.0 112.686 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.4 m -100.84 -45.97 5.28 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.298 0.639 . . . . 0.0 112.627 -169.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.07 127.19 32.23 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -169.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -83.54 44.1 0.95 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.189 1.395 . . . . 0.0 110.467 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -63.21 156.39 69.1 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.09 -1.006 . . . . 0.0 110.245 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.81 142.93 58.25 Favored 'Cis proline' 0 C--N 1.348 0.535 0 CA-C-N 119.805 0.966 . . . . 0.0 111.03 -6.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -145.66 164.89 30.35 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.8 ttt -92.69 146.05 23.95 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.399 -0.813 . . . . 0.0 109.01 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.38 172.28 34.16 Favored Glycine 0 C--N 1.333 0.366 0 O-C-N 121.416 -0.802 . . . . 0.0 112.148 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -99.6 124.79 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -82.84 103.49 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -86.91 61.79 7.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.319 1.848 . . . . 0.0 107.044 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--O 1.231 0.114 0 C-N-CA 124.83 1.252 . . . . 0.0 109.585 -173.546 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.9 mm . . . . . 0 CA--C 1.534 0.354 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -137.46 150.35 47.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -122.34 129.45 52.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.657 0.662 . . . . 0.0 110.001 -169.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -129.86 144.36 51.27 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 169.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.1 m -90.61 126.29 35.91 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 m -137.44 159.6 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.836 0.827 . . . . 0.0 109.619 -169.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.56 120.25 41.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -81.16 137.67 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.81 -23.69 16.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.841 0.457 . . . . 0.0 110.988 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.5 169.99 24.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.762 -1.735 . . . . 0.0 108.762 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.8 mtp -65.83 149.42 50.21 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 169.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.43 167.01 14.13 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 123.417 0.687 . . . . 0.0 109.875 171.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.44 146.78 31.65 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.785 2.323 . . . . 0.0 112.522 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -58.95 -27.1 65.01 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.623 0.769 . . . . 0.0 111.917 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.0 -23.14 63.41 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 0.0 113.216 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.3 -5.38 12.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.707 0.803 . . . . 0.0 112.002 177.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -92.62 24.4 3.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.365 0.666 . . . . 0.0 112.097 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 mt -83.6 -3.73 57.96 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.063 0.945 . . . . 0.0 112.346 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -132.33 -24.27 2.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.968 0.907 . . . . 0.0 112.695 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -162.18 149.39 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -174.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.02 146.63 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.318 0.963 . . . . 0.0 109.191 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -138.36 158.41 44.33 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.712 0.805 . . . . 0.0 110.603 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.19 141.9 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.902 1.681 . . . . 0.0 107.929 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.64 136.83 36.92 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 169.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.75 150.36 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.179 0.591 . . . . 0.0 109.524 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.08 130.44 55.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -86.21 90.6 8.2 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.267 0.627 . . . . 0.0 110.597 -169.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.7 mt . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 124.228 1.011 . . . . 0.0 108.926 176.145 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.236 0.357 0 CA-C-O 122.021 0.915 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -142.02 179.84 6.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 127.219 2.208 . . . . 0.0 107.477 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 m -129.68 139.62 51.33 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.32 152.11 50.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.423 1.489 . . . . 0.0 107.439 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 142.82 45.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 169.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.63 -29.26 66.39 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 170.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.0 m -60.24 -14.09 15.99 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.716 1.606 . . . . 0.0 113.96 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -116.99 12.47 14.61 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.682 1.193 . . . . 0.0 109.764 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.95 144.74 20.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 O-C-N 120.403 -1.436 . . . . 0.0 108.721 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -131.37 109.94 10.7 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 172.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.28 149.76 49.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.241 0.543 . . . . 0.0 110.206 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.7 mt -118.43 132.75 67.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.73 39.27 9.97 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.024 1.729 . . . . 0.0 113.236 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -95.59 171.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.605 0.762 . . . . 0.0 110.221 -175.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 158.9 27.12 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 122.438 1.113 . . . . 0.0 110.968 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.43 -42.32 87.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.338 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.11 -27.77 54.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.469 0.577 . . . . 0.0 110.705 -175.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.438 HG21 HG21 ' A' ' 105' ' ' VAL . 39.2 m -68.64 -47.06 67.55 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 172.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -46.45 88.6 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.32 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.86 98.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.859 0.754 . . . . 0.0 111.414 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.44 -49.07 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.44 83.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.448 0.567 . . . . 0.0 110.127 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.64 -41.56 90.79 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.886 0.875 . . . . 0.0 111.751 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -69.2 -42.74 75.39 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.994 0.518 . . . . 0.0 110.57 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.41 -30.86 71.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.974 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.22 -50.64 67.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 119.474 1.034 . . . . 0.0 109.639 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -58.22 -39.1 78.18 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.09 0.859 . . . . 0.0 111.151 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.44 -55.56 32.02 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.253 -0.904 . . . . 0.0 110.198 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.2 66.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.832 0.853 . . . . 0.0 112.481 -177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.32 1.048 . . . . 0.0 110.924 175.15 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 mt . . . . . 0 C--O 1.234 0.272 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.45 -36.43 80.37 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.487 0.715 . . . . 0.0 112.049 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 p -101.96 -12.7 18.0 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -169.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -133.76 -14.22 2.48 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -172.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.03 -47.49 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.822 1.192 . . . . 0.0 109.914 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 pt -116.64 14.41 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.62 0.768 . . . . 0.0 111.701 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.31 -34.98 34.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.278 1.031 . . . . 0.0 112.046 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.76 -10.25 51.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.956 0.902 . . . . 0.0 112.101 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.02 10.71 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.704 0.802 . . . . 0.0 111.525 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -148.46 -43.91 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.104 0.962 . . . . 0.0 109.776 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -129.25 169.72 14.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.751 1.22 . . . . 0.0 108.725 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -51.78 -39.21 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.994 1.718 . . . . 0.0 114.619 -169.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.42 -42.41 83.26 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -69.2 -33.55 73.51 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.149 0.58 . . . . 0.0 110.331 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -68.04 -42.82 79.97 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.58 -0.7 . . . . 0.0 109.355 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.85 95.23 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.588 0.355 . . . . 0.0 110.57 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.8 mmt -64.99 -39.21 93.13 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.594 0.634 . . . . 0.0 112.209 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -49.91 68.94 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -57.95 -49.1 77.94 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.429 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.58 -52.93 63.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.521 0.329 . . . . 0.0 110.743 -174.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.79 -31.04 64.57 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.909 -0.567 . . . . 0.0 111.583 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -63.65 -46.31 86.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.175 0.898 . . . . 0.0 110.238 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.48 -42.95 86.7 Favored 'General case' 0 N--CA 1.458 -0.059 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.669 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.72 -35.23 75.81 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.566 0.621 . . . . 0.0 111.565 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.39 -24.58 57.22 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -98.25 -46.57 5.77 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -169.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -67.26 128.58 36.91 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.801 0.84 . . . . 0.0 110.056 -169.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -78.81 20.8 0.44 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.254 1.422 . . . . 0.0 114.248 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 20.2 p90 -53.49 153.31 7.66 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -169.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.73 147.54 46.24 Favored 'Cis proline' 0 C--N 1.352 0.746 0 CA-C-N 119.445 0.838 . . . . 0.0 113.768 -7.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -149.75 164.01 36.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.524 1.13 . . . . 0.0 109.324 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -90.95 145.97 24.27 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.936 -1.103 . . . . 0.0 109.865 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.22 168.78 33.13 Favored Glycine 0 C--N 1.335 0.526 0 O-C-N 121.097 -1.002 . . . . 0.0 111.472 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -97.62 125.75 42.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.247 -1.761 . . . . 0.0 106.247 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -84.65 103.02 13.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 169.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -84.81 65.93 9.39 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.481 1.512 . . . . 0.0 107.228 171.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt . . . . . 0 CA--C 1.527 0.091 0 C-N-CA 123.665 0.786 . . . . 0.0 109.375 -176.274 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.7 mm . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.86 151.3 50.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 169.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -121.99 121.85 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.898 -0.501 . . . . 0.0 110.141 -169.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -122.79 142.57 50.59 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -96.49 122.86 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.9 m -136.82 157.23 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 122.228 1.013 . . . . 0.0 111.139 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -103.18 116.81 33.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.22 113.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 171.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.08 -31.93 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.958 0.503 . . . . 0.0 110.786 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 169.56 176.89 39.73 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.146 -1.581 . . . . 0.0 109.146 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mtp -64.63 149.82 48.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 170.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.22 166.96 11.22 Favored Pre-proline 0 CA--C 1.543 0.674 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 147.29 14.53 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.424 2.083 . . . . 0.0 111.98 171.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.29 -30.62 64.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.039 0.536 . . . . 0.0 111.266 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.18 -26.58 68.22 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.054 0.942 . . . . 0.0 112.691 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -79.0 -33.41 44.99 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.8 -0.563 . . . . 0.0 109.921 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.64 28.1 0.49 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.716 1.206 . . . . 0.0 113.511 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.93 -16.51 40.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.111 0.965 . . . . 0.0 113.238 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -132.65 -21.01 2.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -154.71 170.97 20.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.1 mmt -93.52 139.93 30.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.43 156.98 47.61 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.019 0.527 . . . . 0.0 109.816 -175.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.82 140.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.872 1.269 . . . . 0.0 108.487 -173.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.27 133.38 36.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.38 147.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.38 123.49 44.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -75.99 109.35 9.56 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 124.736 1.214 . . . . 0.0 109.911 -173.502 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 CA--C 1.535 0.39 0 CA-C-O 121.651 0.739 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.89 -178.08 4.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.971 2.509 . . . . 0.0 107.866 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -127.8 138.89 52.88 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.83 159.47 35.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 108.316 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 140.51 39.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 169.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.83 -28.79 70.1 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 168.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.9 m -61.63 -7.28 3.18 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.124 1.769 . . . . 0.0 113.711 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.21 9.03 10.36 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.016 1.326 . . . . 0.0 109.736 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.84 147.22 17.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 O-C-N 120.532 -1.355 . . . . 0.0 109.283 -173.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.81 107.84 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 153.31 44.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.421 0.629 . . . . 0.0 110.686 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.6 mt -122.43 131.81 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.306 1.442 . . . . 0.0 107.122 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.6 t70 51.11 36.84 16.52 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.832 1.653 . . . . 0.0 113.984 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.8 m -89.17 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 121.565 -0.709 . . . . 0.0 110.389 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.57 164.74 24.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.182 0.991 . . . . 0.0 110.01 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.08 -35.42 73.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.844 1.258 . . . . 0.0 111.145 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.36 -41.97 69.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.214 0.915 . . . . 0.0 111.022 -174.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.9 m -64.04 -47.66 79.34 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -63.0 -37.16 86.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.228 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.92 -41.99 81.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.826 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.9 86.54 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.269 0.941 . . . . 0.0 110.658 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.44 -53.32 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.655 0.782 . . . . 0.0 109.281 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.39 86.13 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.669 0.387 . . . . 0.0 110.55 -175.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.14 -38.43 76.54 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.168 1.387 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -67.83 -42.05 82.05 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.069 0.548 . . . . 0.0 110.9 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.12 -32.38 73.47 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.565 -0.709 . . . . 0.0 111.193 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -67.29 -40.9 86.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.368 0.985 . . . . 0.0 110.179 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -37.51 84.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 120.05 1.295 . . . . 0.0 111.957 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.7 tp -59.73 -47.05 87.22 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.555 0.742 . . . . 0.0 109.339 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 172.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.529 0 C-N-CA 125.104 1.362 . . . . 0.0 111.185 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 CA--C 1.535 0.368 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.28 -41.13 96.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.932 -175.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.0 p -99.28 -9.58 23.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.514 1.052 . . . . 0.0 113.613 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -126.17 -18.84 4.88 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.549 1.068 . . . . 0.0 113.021 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -114.73 -46.94 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.836 1.198 . . . . 0.0 109.861 -172.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -122.21 15.47 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.308 0.643 . . . . 0.0 112.462 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.06 -36.47 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 124.691 1.196 . . . . 0.0 113.043 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.03 -7.94 47.38 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.716 0.807 . . . . 0.0 111.811 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.06 161.16 29.11 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.652 -0.655 . . . . 0.0 111.813 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.42 -24.27 0.24 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.124 0.97 . . . . 0.0 112.383 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -149.73 175.64 11.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.751 1.22 . . . . 0.0 108.877 -174.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 28' ' ' ARG . 16.7 ptpt -56.02 -38.57 70.69 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.52 1.128 . . . . 0.0 113.385 -172.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.84 -44.36 70.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.37 -37.64 77.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.134 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -69.86 -39.48 76.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.772 1.169 . . . . 0.0 109.549 -178.538 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.37 86.38 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 119.29 -0.386 . . . . 0.0 110.823 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -62.35 -37.13 84.46 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.658 0.663 . . . . 0.0 111.362 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.94 60.11 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 118.996 0.816 . . . . 0.0 111.394 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -56.11 -50.87 69.85 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.433 0.617 . . . . 0.0 109.869 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.59 -49.71 72.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.781 1.232 . . . . 0.0 110.954 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.9 -41.33 95.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.158 0.435 . . . . 0.0 110.118 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -65.08 -45.8 83.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.108 0.413 . . . . 0.0 110.444 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.35 -46.04 81.79 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 122.985 0.514 . . . . 0.0 109.734 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.68 -34.56 73.02 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.131 0.572 . . . . 0.0 111.954 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.41 -24.33 54.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.164 0.585 . . . . 0.0 112.406 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -96.53 -46.35 6.38 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.892 0.477 . . . . 0.0 111.481 -170.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.91 121.52 15.69 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -171.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -84.78 53.43 2.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.725 0.81 . . . . 0.0 109.813 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -64.78 159.82 59.39 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.34 0.656 . . . . 0.0 111.698 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.92 142.26 25.79 Favored 'Cis proline' 0 C--N 1.351 0.704 0 CA-C-N 119.615 0.898 . . . . 0.0 112.348 -10.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -146.43 161.71 39.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.845 0.858 . . . . 0.0 109.305 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.5 ttt -95.44 146.91 24.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.093 -1.005 . . . . 0.0 110.551 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.52 170.35 34.02 Favored Glycine 0 C--N 1.335 0.477 0 O-C-N 121.451 -0.781 . . . . 0.0 111.46 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -99.47 126.66 45.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.93 103.39 11.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.86 62.79 2.69 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 CA--C 1.524 -0.048 0 C-N-CA 124.455 1.102 . . . . 0.0 109.07 -173.325 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.97 150.94 51.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.91 134.5 52.65 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.691 -0.631 . . . . 0.0 111.161 -168.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -140.91 139.6 34.37 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 169.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -91.97 129.99 37.81 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -142.39 154.67 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 122.418 1.104 . . . . 0.0 111.367 -169.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -98.92 118.61 36.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 168.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.82 115.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.43 -29.34 41.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.157 0.583 . . . . 0.0 110.682 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.17 179.25 39.49 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.2 148.39 48.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.34 164.04 47.16 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 123.209 0.604 . . . . 0.0 110.626 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -51.27 152.82 10.7 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.362 2.708 . . . . 0.0 113.088 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.7 -30.63 56.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.312 1.045 . . . . 0.0 112.686 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.1 -32.25 72.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.485 0.714 . . . . 0.0 112.116 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.06 -41.01 13.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.5 m -70.01 9.03 0.61 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.8 mt -92.54 -14.85 27.75 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.599 1.56 . . . . 0.0 111.209 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -106.43 -42.29 5.06 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 111.096 -168.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -158.12 176.31 12.66 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 128.302 2.641 . . . . 0.0 104.157 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.6 mmt -84.99 135.11 34.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 120.172 1.351 . . . . 0.0 108.384 169.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -137.04 157.25 47.13 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.204 1.002 . . . . 0.0 109.314 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.32 142.17 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 125.403 1.481 . . . . 0.0 107.927 -175.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.56 131.34 35.51 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 169.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -137.72 147.93 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 122.833 0.453 . . . . 0.0 110.025 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.51 138.04 51.14 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.215 1.006 . . . . 0.0 108.7 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.04 121.59 19.44 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.527 0.731 . . . . 0.0 111.685 -173.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.654 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 121.211 0.529 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -120.41 -179.38 3.95 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.979 2.112 . . . . 0.0 109.399 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.5 m -126.54 133.53 51.09 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.59 154.98 43.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.341 1.457 . . . . 0.0 107.891 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -72.14 134.93 46.02 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.31 -27.71 69.23 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -66.1 -0.25 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.895 2.078 . . . . 0.0 113.442 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.74 10.1 5.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.871 1.668 . . . . 0.0 109.71 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -115.84 149.94 17.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.498 -1.376 . . . . 0.0 108.758 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -137.29 119.65 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.09 148.84 41.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.724 0.41 . . . . 0.0 110.64 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.4 mt -120.76 128.21 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.978 1.311 . . . . 0.0 108.138 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.51 34.24 9.14 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.002 1.721 . . . . 0.0 113.741 171.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.63 174.82 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.44 0.696 . . . . 0.0 111.23 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.86 161.98 22.7 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.516 0.674 . . . . 0.0 109.856 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.28 -39.11 89.22 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.733 1.213 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -72.76 -35.78 67.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.751 0.705 . . . . 0.0 110.438 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -67.71 -45.1 76.07 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -43.8 94.0 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.948 0.794 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.16 -37.82 81.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.288 0.635 . . . . 0.0 111.616 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.9 96.86 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.58 0.627 . . . . 0.0 111.363 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.88 -50.49 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.1 82.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.786 0.434 . . . . 0.0 109.906 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.25 -39.13 91.87 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.205 0.602 . . . . 0.0 111.547 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -66.32 -42.77 87.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.69 -33.9 77.03 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.474 -0.775 . . . . 0.0 110.787 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.65 -49.51 74.89 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 119.495 1.043 . . . . 0.0 109.618 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -63.14 -37.08 85.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.672 0.669 . . . . 0.0 111.177 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.42 -51.35 67.9 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.421 -0.8 . . . . 0.0 109.78 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.0 67.81 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.61 0.764 . . . . 0.0 112.31 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? . . . . . 0 N--CA 1.468 0.434 0 C-N-CA 124.714 1.206 . . . . 0.0 110.902 175.359 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.37 -35.84 81.36 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.1 p -106.45 1.22 25.39 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -141.46 -45.17 0.37 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.842 0.746 . . . . 0.0 111.942 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.29 -45.38 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 119.108 0.867 . . . . 0.0 110.071 -170.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -122.37 13.6 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.736 0.814 . . . . 0.0 112.248 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -53.95 -35.19 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.098 0.959 . . . . 0.0 112.714 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.74 -11.79 52.71 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.881 0.872 . . . . 0.0 112.291 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.44 176.84 9.42 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.872 0.869 . . . . 0.0 111.883 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.41 -43.11 0.17 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.065 0.946 . . . . 0.0 110.367 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.94 168.64 18.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.948 1.299 . . . . 0.0 108.284 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -48.54 -38.95 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.562 1.945 . . . . 0.0 114.687 -169.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.64 -42.71 77.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.588 0.631 . . . . 0.0 109.431 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -69.35 -34.61 74.85 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.463 0.705 . . . . 0.0 110.103 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -68.35 -42.43 79.26 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.63 -0.669 . . . . 0.0 109.4 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.55 85.6 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.257 0.48 . . . . 0.0 110.293 172.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.3 mmt -63.77 -38.02 89.52 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.068 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.56 57.16 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.303 0.956 . . . . 0.0 111.027 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -57.34 -47.3 81.94 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.875 0.47 . . . . 0.0 111.113 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.25 -48.2 82.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.683 0.793 . . . . 0.0 110.799 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -66.07 -42.61 89.17 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.727 0.694 . . . . 0.0 110.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.45 -46.86 86.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.669 0.387 . . . . 0.0 110.472 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.2 -44.21 84.59 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-O 118.673 -0.679 . . . . 0.0 109.909 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.65 -33.26 72.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.075 0.852 . . . . 0.0 111.732 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.15 -24.24 51.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.135 0.574 . . . . 0.0 112.153 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.9 m -98.15 -45.5 6.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.985 0.514 . . . . 0.0 111.922 -170.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.93 125.4 26.51 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.072 0.949 . . . . 0.0 108.966 -169.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -83.63 61.16 6.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.092 1.357 . . . . 0.0 110.303 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -64.27 156.74 74.5 Favored Pre-proline 0 CA--C 1.542 0.635 0 O-C-N 121.531 -0.731 . . . . 0.0 112.212 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.54 151.26 96.32 Favored 'Cis proline' 0 C--N 1.348 0.521 0 N-CA-C 108.812 -1.265 . . . . 0.0 108.812 -10.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -141.97 162.05 36.44 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.305 0.502 . . . . 0.0 111.052 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -90.02 144.83 25.56 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.94 32.93 Favored Glycine 0 N--CA 1.447 -0.569 0 O-C-N 121.481 -0.762 . . . . 0.0 111.198 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -98.23 124.33 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -83.76 102.35 12.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -94.99 68.24 3.17 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 C--O 1.233 0.184 0 C-N-CA 125.492 1.517 . . . . 0.0 108.902 -175.784 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm . . . . . 0 C--O 1.235 0.296 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -125.31 152.18 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.13 148.93 50.61 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.962 1.255 . . . . 0.0 112.394 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -139.38 148.66 43.15 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 170.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.7 m -100.55 125.61 46.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.82 158.64 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.249 1.023 . . . . 0.0 112.071 -168.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.8 118.21 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 169.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.92 137.63 20.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -98.32 -22.72 15.96 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.887 0.475 . . . . 0.0 111.43 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.95 174.24 26.41 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 -172.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.6 mtp -65.49 153.45 41.38 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.298 0.57 . . . . 0.0 110.009 169.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.63 169.29 5.33 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.302 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -51.98 155.52 8.47 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.017 2.478 . . . . 0.0 112.962 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.85 -32.67 66.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.591 0.756 . . . . 0.0 111.763 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.48 -26.77 66.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.046 0.538 . . . . 0.0 112.145 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -80.6 -40.4 25.79 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.13 10.07 2.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.876 -172.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -18.6 54.75 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.998 2.119 . . . . 0.0 111.478 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -130.9 -27.53 2.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.623 0.769 . . . . 0.0 113.024 -170.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -154.83 169.44 23.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -86.83 136.86 32.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.395 1.452 . . . . 0.0 108.271 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -138.28 157.73 45.69 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.96 141.99 28.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.301 1.44 . . . . 0.0 108.633 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.88 135.52 35.93 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 170.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.75 148.88 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.236 0.615 . . . . 0.0 109.844 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.71 132.51 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 124.949 1.299 . . . . 0.0 107.637 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.1 115.61 12.64 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.843 0.457 . . . . 0.0 110.553 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.703 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -129.01 -178.97 4.85 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.726 2.41 . . . . 0.0 108.492 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 m -125.69 136.56 53.34 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 169.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.56 156.49 39.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.713 1.605 . . . . 0.0 107.981 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 139.54 45.13 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 169.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -28.94 69.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -61.27 -9.62 5.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.871 2.468 . . . . 0.0 113.856 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -122.87 10.07 9.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.551 1.54 . . . . 0.0 109.537 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.81 145.77 18.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 O-C-N 120.762 -1.211 . . . . 0.0 108.313 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -133.48 108.87 8.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.86 150.46 47.76 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.254 0.549 . . . . 0.0 110.343 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.2 mt -119.29 132.93 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.37 41.17 12.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.984 1.714 . . . . 0.0 113.098 174.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.422 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -99.02 171.26 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.663 0.785 . . . . 0.0 110.48 -174.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 159.53 26.5 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 122.049 0.928 . . . . 0.0 110.861 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.495 1.118 . . . . 0.0 110.88 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -73.69 -28.84 61.95 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.538 0.608 . . . . 0.0 110.62 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.422 HG21 HG21 ' A' ' 105' ' ' VAL . 34.5 m -70.9 -47.09 61.06 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -43.61 98.55 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.48 -46.02 89.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.16 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.02 91.0 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.983 0.81 . . . . 0.0 111.473 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.68 -50.78 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 122.921 0.488 . . . . 0.0 109.731 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.14 82.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.608 0.64 . . . . 0.0 110.511 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.492 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 17.3 t70 -64.77 -43.2 94.03 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.717 0.807 . . . . 0.0 111.144 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -63.96 -36.37 83.73 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.09 -0.381 . . . . 0.0 111.189 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 50.4 mt -71.4 -40.46 70.51 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.139 -0.976 . . . . 0.0 111.697 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 1.1 p90 -70.64 -29.84 66.31 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.251 1.387 . . . . 0.0 110.379 173.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -65.15 -35.88 82.49 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.369 -0.832 . . . . 0.0 109.769 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.19 -48.79 77.87 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.629 -0.669 . . . . 0.0 109.585 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.13 -25.1 67.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 112.984 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.371 0 C-N-CA 125.225 1.41 . . . . 0.0 113.964 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.8 mt . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.88 -41.46 82.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.609 0.764 . . . . 0.0 111.77 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.6 p -93.17 -14.27 27.36 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -171.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -129.94 -13.07 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.11 -39.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 119.579 1.081 . . . . 0.0 109.981 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -126.39 14.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.51 -31.78 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.192 0.997 . . . . 0.0 112.485 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.09 11.27 34.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.582 1.153 . . . . 0.0 111.472 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.49 152.82 51.71 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 124.623 1.169 . . . . 0.0 110.006 -169.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.45 -37.66 0.23 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.642 0.777 . . . . 0.0 111.135 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.06 163.29 24.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -64.86 -34.93 79.54 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.179 -0.95 . . . . 0.0 111.439 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.45 -43.99 79.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -66.04 -45.56 80.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.95 0.5 . . . . 0.0 109.659 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -68.43 -34.65 76.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.15 -176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.76 96.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.841 0.746 . . . . 0.0 110.33 169.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.6 mmt -67.09 -33.73 76.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.674 -0.641 . . . . 0.0 112.474 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.97 -50.29 67.27 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -57.85 -48.36 80.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.183 171.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.01 -54.21 49.46 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.083 0.401 . . . . 0.0 111.406 -173.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -73.87 -29.12 61.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.11 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -63.33 -46.48 86.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.186 0.903 . . . . 0.0 110.139 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.0 -46.51 84.2 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.469 0.708 . . . . 0.0 109.759 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.37 -33.93 71.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.372 0.533 . . . . 0.0 111.978 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.85 -23.01 49.05 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.191 0.596 . . . . 0.0 112.529 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -98.98 -44.98 6.12 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.202 0.601 . . . . 0.0 111.855 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.71 123.59 20.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.403 1.081 . . . . 0.0 109.989 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.08 46.39 1.01 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.423 1.489 . . . . 0.0 110.457 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 26.6 p90 -64.19 157.92 67.39 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.094 -1.004 . . . . 0.0 110.967 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.81 147.88 77.36 Favored 'Cis proline' 0 C--N 1.35 0.611 0 CA-C-N 119.707 0.931 . . . . 0.0 110.974 -8.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -150.69 166.57 29.99 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.88 0.472 . . . . 0.0 109.834 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -88.96 145.93 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.476 -0.765 . . . . 0.0 109.689 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.64 169.85 31.75 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -99.02 124.33 43.93 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.62 102.62 11.57 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -92.18 64.21 4.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 126.309 1.844 . . . . 0.0 106.371 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -172.579 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm . . . . . 0 C--O 1.235 0.297 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -113.65 148.98 35.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 104.194 -2.521 . . . . 0.0 104.194 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -128.95 131.57 47.52 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.169 -0.957 . . . . 0.0 109.873 -170.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -131.45 146.38 52.23 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 m -97.79 125.83 42.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.28 156.28 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 122.02 0.914 . . . . 0.0 111.155 -169.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -105.47 116.23 31.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -73.26 143.45 13.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.56 -24.45 13.41 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.334 0.654 . . . . 0.0 110.757 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.67 176.59 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.84 148.8 42.12 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.07 168.97 7.78 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.0 147.08 27.43 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.037 1.824 . . . . 0.0 111.694 169.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -58.81 -31.22 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.961 0.504 . . . . 0.0 111.144 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -65.21 -26.79 68.29 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.86 0.864 . . . . 0.0 112.461 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -79.84 -26.32 40.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.883 -0.511 . . . . 0.0 110.493 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.0 m -95.58 28.48 2.97 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.044 0.938 . . . . 0.0 113.215 -169.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.35 -19.32 59.67 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 -176.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.4 -16.31 3.5 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -170.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -166.53 159.89 14.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.438 2.295 . . . . 0.0 104.853 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -92.18 144.42 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.362 0.983 . . . . 0.0 108.75 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -141.21 156.86 45.86 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.27 0.628 . . . . 0.0 110.753 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.48 142.96 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.897 1.679 . . . . 0.0 107.812 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.92 136.25 37.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.04 152.42 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 123.346 0.658 . . . . 0.0 109.919 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.34 141.06 51.54 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.641 1.177 . . . . 0.0 107.917 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -73.62 124.91 26.84 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.827 0.451 . . . . 0.0 110.778 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.966 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -139.51 179.88 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.386 1.874 . . . . 0.0 108.977 -169.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -127.79 135.32 49.93 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 170.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.83 49.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -72.26 137.28 46.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.26 -26.64 66.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.754 0.422 . . . . 0.0 109.933 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -59.74 -14.39 14.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.881 1.672 . . . . 0.0 113.601 172.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 14.17 9.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.261 1.424 . . . . 0.0 109.581 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.73 149.08 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 120.256 -1.527 . . . . 0.0 108.507 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -133.53 133.4 42.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 169.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.84 25.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.879 0.472 . . . . 0.0 110.311 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.51 132.51 70.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.805 1.242 . . . . 0.0 107.693 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.43 38.63 18.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.84 1.656 . . . . 0.0 113.833 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -92.54 175.27 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 123.997 0.919 . . . . 0.0 111.007 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.16 163.63 24.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 169.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.15 -38.69 89.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.428 1.091 . . . . 0.0 110.878 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.77 -32.7 67.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.659 0.663 . . . . 0.0 110.725 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 m -72.64 -46.64 53.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -59.4 -39.37 83.18 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 119.109 0.868 . . . . 0.0 110.598 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.76 -41.01 99.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.931 0.893 . . . . 0.0 111.153 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.78 94.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.309 0.959 . . . . 0.0 111.015 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.66 -53.57 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.82 92.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.246 0.475 . . . . 0.0 110.365 -170.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.46 -36.41 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.514 1.126 . . . . 0.0 111.519 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -65.85 -43.69 87.73 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.452 0.301 . . . . 0.0 110.674 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.84 -33.11 75.09 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.655 -0.653 . . . . 0.0 110.968 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.96 -43.19 83.75 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.245 0.93 . . . . 0.0 109.967 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.93 -40.59 93.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.061 1.3 . . . . 0.0 111.622 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.22 -50.72 72.55 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.608 0.763 . . . . 0.0 109.464 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.35 -22.27 66.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.015 0.526 . . . . 0.0 112.378 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.395 0 C-N-CA 124.213 1.005 . . . . 0.0 110.859 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 CA--C 1.535 0.386 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.78 -32.0 67.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.844 1.257 . . . . 0.0 112.033 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 p -106.61 -3.3 20.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.708 0.803 . . . . 0.0 113.096 -171.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -136.45 -22.43 1.3 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.1 -38.45 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.329 0.968 . . . . 0.0 110.308 -169.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.54 12.85 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.156 0.889 . . . . 0.0 112.151 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -56.33 -33.85 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.751 0.82 . . . . 0.0 111.969 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -86.67 -12.07 49.47 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.849 0.86 . . . . 0.0 112.138 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.73 161.77 28.23 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.604 -0.685 . . . . 0.0 111.837 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -149.77 -26.24 0.26 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.223 1.009 . . . . 0.0 112.196 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -147.05 170.75 16.5 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.086 1.355 . . . . 0.0 107.554 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -56.08 -29.37 60.47 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.522 1.529 . . . . 0.0 114.202 -171.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.62 -50.65 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -70.5 -32.14 69.52 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.602 -0.686 . . . . 0.0 111.085 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -57.61 8.96 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 124.832 1.253 . . . . 0.0 107.75 173.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.11 -29.16 61.7 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.961 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.7 mmt -64.18 -40.01 95.2 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 119.742 1.156 . . . . 0.0 110.896 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.9 -50.49 63.47 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.208 0.913 . . . . 0.0 110.957 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -57.8 -46.52 84.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.295 0.638 . . . . 0.0 111.023 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -67.02 -47.63 70.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.335 1.454 . . . . 0.0 110.431 -173.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -65.87 -39.45 90.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.064 0.847 . . . . 0.0 110.545 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.31 -52.18 66.66 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.465 0.706 . . . . 0.0 110.344 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.57 -44.8 77.35 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.911 -177.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.09 -33.25 71.83 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.212 0.605 . . . . 0.0 111.989 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.76 -25.17 48.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.4 m -97.46 -46.7 5.96 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.126 -0.359 . . . . 0.0 111.745 -169.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -66.23 121.27 14.84 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.37 1.068 . . . . 0.0 108.464 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.93 49.24 1.74 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.235 1.014 . . . . 0.0 109.92 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 23.9 p90 -64.25 163.38 25.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.583 0.753 . . . . 0.0 111.28 176.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.68 143.95 21.32 Favored 'Cis proline' 0 C--N 1.351 0.679 0 CA-C-N 120.067 1.06 . . . . 0.0 112.026 -10.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -145.43 158.23 43.87 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.438 0.563 . . . . 0.0 109.81 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 ttt -86.85 142.64 27.92 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.426 -0.796 . . . . 0.0 108.999 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.88 172.28 31.92 Favored Glycine 0 C--N 1.332 0.36 0 O-C-N 121.593 -0.692 . . . . 0.0 111.765 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.96 125.04 44.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -81.74 101.83 10.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -89.21 62.08 6.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.612 1.965 . . . . 0.0 107.154 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 tttt . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -173.897 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 mm . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.93 150.07 52.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -121.56 127.28 50.79 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.748 0.419 . . . . 0.0 110.139 -169.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -127.86 139.11 52.82 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 170.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -88.47 127.96 35.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 158.81 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 122.045 0.926 . . . . 0.0 110.905 -169.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.87 115.18 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 169.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -75.05 130.35 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.8 -24.77 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.52 -179.97 35.68 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.43 149.87 32.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.89 166.36 10.23 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.205 171.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.18 153.46 9.35 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.782 2.322 . . . . 0.0 112.455 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -56.33 -30.92 63.21 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 123.266 0.627 . . . . 0.0 111.489 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.99 -31.43 72.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.618 0.767 . . . . 0.0 111.867 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.79 -47.71 16.19 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 171.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.4 m -71.71 9.97 0.77 Allowed 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.0 mt -78.95 -28.75 43.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.679 1.191 . . . . 0.0 109.657 169.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -86.49 -50.55 6.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.567 0.747 . . . . 0.0 109.815 -172.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -166.52 169.99 13.23 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.212 1.805 . . . . 0.0 107.255 -169.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.48 131.89 35.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.211 1.369 . . . . 0.0 111.391 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -140.45 160.26 40.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.363 1.065 . . . . 0.0 110.726 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.14 143.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 125.987 1.715 . . . . 0.0 107.948 -177.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -81.81 135.25 35.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 169.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.36 146.09 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 123.117 0.567 . . . . 0.0 110.211 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.34 133.1 56.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 125.204 1.402 . . . . 0.0 107.465 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -83.37 90.94 7.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.711 0.804 . . . . 0.0 109.558 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 CA--C 1.537 0.458 0 C-N-CA 125.049 1.34 . . . . 0.0 109.009 179.148 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.5 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 121.717 0.77 . . . . 0.0 108.96 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -131.14 178.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.829 2.452 . . . . 0.0 107.959 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 m -126.26 137.15 53.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.62 153.58 47.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.363 1.465 . . . . 0.0 107.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -70.95 139.38 50.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 105.129 -2.175 . . . . 0.0 105.129 169.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.39 -28.62 67.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.553 0.615 . . . . 0.0 109.438 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 m -57.61 -24.97 59.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.751 2.02 . . . . 0.0 113.675 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -108.21 13.22 25.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.049 1.34 . . . . 0.0 109.574 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -118.06 148.4 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 O-C-N 120.527 -1.358 . . . . 0.0 108.262 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.62 133.46 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.1 156.61 29.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.628 0.728 . . . . 0.0 110.477 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.0 mt -122.74 130.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.86 38.09 11.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.086 1.754 . . . . 0.0 113.486 173.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.481 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -94.6 172.61 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.286 0.634 . . . . 0.0 111.029 -175.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.57 156.68 39.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.576 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.79 -39.57 77.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.55 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -74.05 -38.02 64.11 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.112 0.869 . . . . 0.0 110.644 -173.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.481 HG21 HG21 ' A' ' 105' ' ' VAL . 33.9 m -59.11 -50.34 74.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.106 0.963 . . . . 0.0 109.449 170.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.52 -37.79 88.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.1 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.16 -42.34 93.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.927 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.644 1.111 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.5 mt -66.75 -51.44 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.063 0.545 . . . . 0.0 109.538 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.66 91.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.933 0.333 . . . . 0.0 110.235 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.06 -41.45 99.46 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.097 0.959 . . . . 0.0 111.952 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.32 -46.01 89.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.59 -35.6 81.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.995 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -61.3 -56.2 23.17 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.974 1.261 . . . . 0.0 109.338 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -60.97 -40.13 92.22 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.848 0.859 . . . . 0.0 110.664 -174.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.91 -49.28 76.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.289 0.636 . . . . 0.0 110.601 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.37 66.61 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.275 0.63 . . . . 0.0 112.376 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 . . . . . 0 N--CA 1.47 0.526 0 CA-C-N 119.171 0.896 . . . . 0.0 110.912 174.222 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.9 mtm . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.56 144.51 16.88 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.051 1.34 . . . . 0.0 108.098 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -75.99 21.45 0.17 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.493 1.517 . . . . 0.0 112.839 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 p -74.06 28.54 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 126.951 2.1 . . . . 0.0 112.79 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.82 71.19 0.21 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.138 2.175 . . . . 0.0 110.63 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -32.23 68.59 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.437 -0.79 . . . . 0.0 112.941 -176.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -179.22 149.07 0.4 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 129.487 3.115 . . . . 0.0 105.422 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.16 -14.94 63.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.708 0.803 . . . . 0.0 113.0 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -47.87 -46.61 31.54 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.999 1.319 . . . . 0.0 111.908 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -76.35 -36.4 58.23 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.755 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.88 -44.69 86.84 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.848 0.749 . . . . 0.0 109.481 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -62.04 -50.73 70.83 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.425 0.69 . . . . 0.0 109.557 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -59.37 -45.6 90.99 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.694 0.679 . . . . 0.0 111.18 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -54.51 -59.93 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.91 -34.99 76.3 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.1 p -106.68 -0.71 23.44 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -141.89 -45.91 0.35 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.814 0.734 . . . . 0.0 112.473 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.4 mt -78.06 -47.64 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.408 1.004 . . . . 0.0 109.993 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 pt -122.37 13.3 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.901 0.88 . . . . 0.0 112.001 -174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.79 -36.17 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.988 0.915 . . . . 0.0 112.553 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.38 -12.43 56.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.799 0.84 . . . . 0.0 112.171 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.28 173.13 12.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.566 0.747 . . . . 0.0 111.972 -173.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -149.54 -43.61 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.362 1.065 . . . . 0.0 109.672 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -131.29 171.41 13.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.624 1.17 . . . . 0.0 109.376 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -50.45 -40.29 50.23 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.151 1.38 . . . . 0.0 114.477 -169.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.59 -41.42 84.12 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.16 -32.77 67.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.856 -0.528 . . . . 0.0 110.359 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -67.59 -42.77 81.94 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.53 95.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 122.702 0.401 . . . . 0.0 110.248 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -63.66 -37.98 89.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.37 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.79 -51.8 56.94 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 119.457 1.026 . . . . 0.0 110.949 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -58.63 -46.61 86.71 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.241 174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -59.89 -47.79 84.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.117 0.567 . . . . 0.0 110.467 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -66.94 -41.06 87.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.748 0.703 . . . . 0.0 110.716 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.52 -48.67 79.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.441 0.564 . . . . 0.0 110.208 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -66.95 -43.34 83.43 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.057 0.543 . . . . 0.0 109.682 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.63 -34.87 74.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.439 0.696 . . . . 0.0 111.625 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -78.65 -22.17 47.25 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.7 m -101.5 -44.61 5.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -169.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -70.67 126.77 30.53 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.622 0.769 . . . . 0.0 109.724 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -85.12 43.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.327 1.451 . . . . 0.0 110.393 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -62.8 158.19 54.09 Favored Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 121.143 -0.973 . . . . 0.0 110.453 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.54 147.89 76.58 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 120.108 1.074 . . . . 0.0 111.229 -6.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -150.85 161.98 41.65 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.089 0.555 . . . . 0.0 109.768 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -82.18 146.6 29.46 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 169.47 32.11 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -100.7 121.81 42.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 169.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -83.79 101.09 11.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.67 69.87 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.366 1.467 . . . . 0.0 107.721 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -60.9 114.93 3.33 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 122.396 0.278 . . . . 0.0 110.431 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.47 131.59 51.24 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 169.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.1 m -148.86 172.2 15.05 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.56 0.695 . . . . 0.0 112.64 -169.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 61.61 8.8 2.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 127.414 2.285 . . . . 0.0 114.348 171.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 52.72 28.14 5.99 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.312 1.445 . . . . 0.0 112.167 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.5 p -131.63 16.14 4.86 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.513 1.525 . . . . 0.0 109.95 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m 53.57 37.21 25.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.984 1.314 . . . . 0.0 111.983 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.7 m -68.7 151.53 46.55 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 169.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.1 mm -117.76 101.59 12.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -85.78 87.9 7.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.09 151.65 47.22 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.418 0.628 . . . . 0.0 110.278 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -150.5 141.28 22.76 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 m -99.42 124.37 44.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -135.61 161.47 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 122.06 0.934 . . . . 0.0 111.276 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.26 113.33 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 169.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -73.93 143.34 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -103.4 -25.77 13.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.285 0.634 . . . . 0.0 110.517 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.75 173.63 29.58 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.0 152.41 43.47 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.43 165.81 8.32 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.89 157.75 7.45 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.039 2.493 . . . . 0.0 112.846 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.45 -30.34 62.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 112.249 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.54 -31.7 73.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.566 0.621 . . . . 0.0 111.764 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.28 -43.08 19.68 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.7 m -71.09 2.52 4.41 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -83.05 -16.27 47.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.384 1.473 . . . . 0.0 110.64 169.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -110.53 -37.84 5.37 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 124.121 0.969 . . . . 0.0 110.795 -169.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -164.53 170.83 15.34 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -80.33 127.64 32.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 120.388 1.449 . . . . 0.0 108.129 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -138.49 158.89 43.4 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.905 0.882 . . . . 0.0 110.141 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.16 142.59 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.414 1.486 . . . . 0.0 107.792 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -80.59 135.33 36.05 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.58 149.21 22.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 123.355 0.662 . . . . 0.0 109.944 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.21 125.77 53.76 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.97 99.4 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.074 0.55 . . . . 0.0 109.519 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -61.06 -26.92 40.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.2 1.0 . . . . 0.0 109.811 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.48 10.47 57.82 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.52 -1.155 . . . . 0.0 113.008 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.68 -19.78 0.06 OUTLIER Glycine 0 CA--C 1.528 0.886 0 CA-C-N 119.203 1.502 . . . . 0.0 115.167 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -140.77 -57.6 0.51 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 119.445 1.622 . . . . 0.0 110.041 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.6 t70 49.33 19.83 0.38 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.485 1.914 . . . . 0.0 113.521 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -156.96 7.98 0.18 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.285 1.434 . . . . 0.0 111.47 -171.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -151.24 164.93 35.47 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.628 1.571 . . . . 0.0 107.563 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.7 t -130.0 144.42 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.016 0.926 . . . . 0.0 109.756 -169.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -122.98 -176.81 3.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.079 2.552 . . . . 0.0 108.042 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.5 m -128.51 139.92 52.07 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.11 154.07 48.69 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.4 1.48 . . . . 0.0 108.506 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -70.95 137.59 49.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.27 -28.74 68.32 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 169.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -61.58 -15.05 35.3 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.889 1.675 . . . . 0.0 113.477 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.31 10.02 13.58 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.769 1.228 . . . . 0.0 109.371 -177.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -110.34 146.39 15.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 122.303 1.049 . . . . 0.0 108.696 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.62 106.54 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.82 150.82 46.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.07 132.39 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.63 39.16 20.84 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.839 1.656 . . . . 0.0 113.701 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.2 m -90.28 173.76 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.36 0.664 . . . . 0.0 110.902 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.85 163.39 25.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.621 0.725 . . . . 0.0 110.246 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.19 -38.67 80.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.021 1.328 . . . . 0.0 110.831 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -70.21 -34.57 73.07 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.99 0.814 . . . . 0.0 110.866 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.1 m -69.96 -47.79 60.91 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -38.79 84.72 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.17 -50.46 73.44 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.024 0.93 . . . . 0.0 111.461 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.45 86.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.887 0.312 . . . . 0.0 111.127 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.0 mt -66.3 -50.38 68.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.302 0.641 . . . . 0.0 109.649 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.68 -46.45 84.27 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.537 0.608 . . . . 0.0 110.168 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.43 -41.88 86.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.834 0.853 . . . . 0.0 110.724 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -66.28 -35.98 81.8 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.443 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.43 -30.78 70.61 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.114 -0.991 . . . . 0.0 111.602 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -66.04 -44.1 85.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.852 1.205 . . . . 0.0 110.15 170.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -61.11 -37.6 83.35 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.189 0.449 . . . . 0.0 111.512 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 69.7 tp -61.53 -49.29 77.29 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.1 78.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.069 0.548 . . . . 0.0 111.82 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -62.55 -16.97 58.87 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.796 1.239 . . . . 0.0 113.729 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.88 33.37 60.05 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 120.149 1.34 . . . . 0.0 111.455 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 62.13 171.16 0.13 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.069 2.548 . . . . 0.0 115.226 169.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -135.29 8.76 3.43 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.724 1.209 . . . . 0.0 111.64 169.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.722 1.209 . . . . 0.0 107.944 168.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.22 70.64 2.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.162 0.985 . . . . 0.0 108.972 169.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -74.67 21.04 0.11 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.97 1.708 . . . . 0.0 113.205 -174.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -54.29 -29.59 19.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 125.109 1.364 . . . . 0.0 111.668 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.25 158.06 43.92 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 169.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -49.43 -45.76 46.82 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 126.644 1.978 . . . . 0.0 114.4 -168.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.57 -170.03 0.87 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.323 1.449 . . . . 0.0 108.598 -174.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.69 7.34 0.89 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.805 2.042 . . . . 0.0 113.447 -176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -41.88 66.54 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 121.184 1.811 . . . . 0.0 110.615 171.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -58.55 -46.18 87.41 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.256 0.222 . . . . 0.0 110.503 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.8 -33.92 74.66 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.95 0.5 . . . . 0.0 110.134 -175.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -65.78 -42.32 90.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.05 0.387 . . . . 0.0 111.539 171.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -64.58 -43.05 95.08 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.073 -1.017 . . . . 0.0 110.456 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.66 -50.63 73.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.941 0.896 . . . . 0.0 108.675 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.36 -38.96 78.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.793 0.837 . . . . 0.0 111.891 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 p -93.13 -14.06 27.7 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -133.93 -12.69 2.54 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mt -121.32 -41.28 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.878 1.217 . . . . 0.0 109.991 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.44 15.96 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.74 . . . . 0.0 112.042 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.52 -31.48 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.778 0.831 . . . . 0.0 111.83 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.88 10.4 26.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.602 1.161 . . . . 0.0 111.801 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.11 161.98 32.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.878 1.271 . . . . 0.0 111.39 -169.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -150.13 -41.45 0.13 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.933 0.893 . . . . 0.0 110.415 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -81.98 164.28 21.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.955 0.798 . . . . 0.0 108.948 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -59.35 -39.23 82.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.787 0.835 . . . . 0.0 111.896 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.95 -42.55 73.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -66.53 -43.1 86.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -62.53 -41.67 99.02 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.31 96.31 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.988 0.358 . . . . 0.0 110.774 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -64.36 -37.04 86.12 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-O 118.482 -0.77 . . . . 0.0 111.701 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.15 -50.15 66.61 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-N 119.427 1.012 . . . . 0.0 110.676 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.45 -50.43 73.74 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.654 0.382 . . . . 0.0 111.521 173.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -61.57 -46.93 87.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.151 0.58 . . . . 0.0 110.46 -173.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -65.5 -43.05 91.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.095 0.558 . . . . 0.0 110.513 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -62.77 -46.95 85.63 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.272 0.487 . . . . 0.0 110.296 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.64 -43.59 79.98 Favored 'General case' 0 C--O 1.228 -0.048 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.46 -33.76 71.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.838 0.744 . . . . 0.0 111.998 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.15 -22.54 44.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.243 0.617 . . . . 0.0 112.517 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -100.21 -45.18 5.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -68.83 127.69 34.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.83 45.1 1.22 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.329 1.452 . . . . 0.0 110.289 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 8.2 p90 -63.07 156.91 65.53 Favored Pre-proline 0 CA--C 1.545 0.766 0 O-C-N 121.208 -0.933 . . . . 0.0 111.325 175.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -68.37 146.94 80.12 Favored 'Cis proline' 0 C--N 1.349 0.596 0 CA-C-N 119.414 0.826 . . . . 0.0 111.72 -4.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -148.21 165.29 31.38 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.098 0.959 . . . . 0.0 109.529 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -92.54 145.18 24.64 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.286 -0.883 . . . . 0.0 109.403 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.75 170.17 32.44 Favored Glycine 0 C--N 1.334 0.447 0 O-C-N 121.137 -0.977 . . . . 0.0 111.501 172.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -100.15 125.34 46.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -82.03 104.21 12.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.687 -2.338 . . . . 0.0 104.687 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -86.61 68.33 10.13 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.679 1.591 . . . . 0.0 106.927 171.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -61.14 123.34 17.41 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -67.13 164.69 17.48 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.961 0.8 . . . . 0.0 110.634 172.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 m 71.53 48.31 0.33 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.315 1.846 . . . . 0.0 113.953 169.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -56.58 -47.09 80.3 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 168.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -147.36 -46.14 0.17 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.773 0.829 . . . . 0.0 111.125 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -141.67 61.25 1.47 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.189 0.996 . . . . 0.0 108.607 -170.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m 58.5 13.58 2.58 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.296 1.438 . . . . 0.0 113.276 -170.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.27 152.73 41.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.588 1.955 . . . . 0.0 109.777 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.9 mm -82.85 142.13 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 121.264 -0.898 . . . . 0.0 109.216 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -117.61 151.57 36.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 169.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -128.06 126.97 42.27 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 -170.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -134.5 134.59 41.64 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.0 m -89.89 125.26 35.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.66 153.98 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.328 1.061 . . . . 0.0 111.367 -169.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.39 119.54 38.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.98 114.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.68 -35.57 44.98 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 122.55 0.34 . . . . 0.0 110.514 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.431 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 166.07 179.74 39.73 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.18 148.18 41.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.9 164.53 16.67 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 123.763 0.825 . . . . 0.0 109.335 169.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -60.13 157.21 35.68 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.654 1.569 . . . . 0.0 111.089 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -31.75 64.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.055 0.942 . . . . 0.0 112.268 -175.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.03 -27.61 68.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.079 0.951 . . . . 0.0 112.344 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.79 -36.26 37.34 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.6 m -80.76 34.37 0.34 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.857 1.263 . . . . 0.0 112.902 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.71 -21.73 21.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.226 1.01 . . . . 0.0 113.462 -174.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -137.29 -17.55 1.34 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.795 0.838 . . . . 0.0 113.105 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -154.76 165.08 37.74 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.0 mmt -93.7 140.9 29.1 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -136.2 157.08 47.67 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.128 0.571 . . . . 0.0 110.186 -174.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.88 143.22 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.544 1.538 . . . . 0.0 108.065 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -80.29 132.78 35.88 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.71 149.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -175.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.88 50.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.083 0.953 . . . . 0.0 108.535 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.35 123.72 21.55 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.131 0.572 . . . . 0.0 110.733 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt -75.37 -24.0 17.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.084 0.554 . . . . 0.0 110.053 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.75 -44.37 95.86 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 123.993 0.806 . . . . 0.0 112.399 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.07 -24.78 0.05 OUTLIER Glycine 0 CA--C 1.528 0.891 0 CA-C-O 118.868 -0.962 . . . . 0.0 114.582 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -81.73 35.21 0.41 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.801 1.8 . . . . 0.0 111.328 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.53 -31.78 68.25 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.693 1.197 . . . . 0.0 111.638 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.62 -14.39 62.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.785 1.234 . . . . 0.0 112.991 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -123.25 68.45 1.0 Allowed 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.053 1.341 . . . . 0.0 109.058 -171.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.1 t -55.7 150.3 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.295 1.438 . . . . 0.0 110.129 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -127.01 178.17 6.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.712 2.005 . . . . 0.0 109.501 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 m -127.49 136.01 51.17 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.6 154.41 47.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.201 1.4 . . . . 0.0 107.887 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.46 138.4 48.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.01 -28.22 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -60.9 -17.3 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.98 2.112 . . . . 0.0 113.606 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.56 11.38 17.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.84 1.656 . . . . 0.0 109.871 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.48 149.84 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 120.291 -1.506 . . . . 0.0 109.023 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.59 112.06 9.92 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 150.64 46.75 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.376 0.607 . . . . 0.0 110.206 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -119.44 131.97 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.502 1.521 . . . . 0.0 107.161 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.94 37.17 7.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.175 1.79 . . . . 0.0 113.436 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 109' ' ' THR . 4.3 p -92.47 173.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.556 0.742 . . . . 0.0 110.638 -174.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.68 157.63 29.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 122.093 0.949 . . . . 0.0 110.118 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.47 -42.47 96.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.83 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -74.26 -28.1 61.06 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.119 0.418 . . . . 0.0 110.801 -175.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.475 HG21 HG21 ' A' ' 105' ' ' VAL . 35.2 m -69.29 -48.52 61.42 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -40.88 97.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.96 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.67 -43.74 92.61 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.434 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.8 98.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.091 0.859 . . . . 0.0 110.707 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.82 -50.19 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.91 87.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.6 0.636 . . . . 0.0 110.484 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.59 -41.54 94.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.003 0.921 . . . . 0.0 111.456 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -65.59 -45.39 83.42 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 119.187 -0.435 . . . . 0.0 109.963 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.38 -34.44 77.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.929 0.786 . . . . 0.0 111.359 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -63.18 -52.99 60.14 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 119.213 0.915 . . . . 0.0 109.318 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -58.27 -39.99 80.68 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.67 0.788 . . . . 0.0 111.648 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.84 -53.37 58.71 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.621 1.568 . . . . 0.0 109.743 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.43 68.29 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.407 0.683 . . . . 0.0 112.377 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -72.03 -7.36 48.38 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.989 0.916 . . . . 0.0 112.018 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.32 57.23 6.93 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -56.27 164.26 1.38 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.954 0.883 . . . . 0.0 112.62 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -142.23 18.48 2.08 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.381 1.073 . . . . 0.0 111.802 -169.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.6 p90 . . . . . 0 C--O 1.252 1.23 0 CA-C-N 117.835 0.289 . . . . 0.0 110.548 177.247 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.28 157.64 34.61 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.974 1.31 . . . . 0.0 109.263 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -75.41 17.02 0.29 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.359 1.464 . . . . 0.0 114.553 -170.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -123.08 -3.5 7.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 126.934 2.094 . . . . 0.0 110.786 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -79.64 72.74 6.34 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.416 1.486 . . . . 0.0 107.625 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -35.56 73.66 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.554 1.142 . . . . 0.0 111.506 -170.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -167.81 159.5 11.69 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.696 1.599 . . . . 0.0 107.018 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.33 -18.7 18.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.586 0.755 . . . . 0.0 112.792 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -50.1 -37.66 35.0 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.928 0.891 . . . . 0.0 110.878 169.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -63.96 -47.98 78.3 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 119.617 1.099 . . . . 0.0 110.088 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.46 -44.98 81.07 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.276 0.63 . . . . 0.0 110.152 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -64.18 -45.3 88.96 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 118.929 -0.558 . . . . 0.0 111.186 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -61.99 -45.11 95.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.434 1.015 . . . . 0.0 110.171 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -55.32 -56.24 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.72 -37.21 86.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 112.564 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.5 p -100.84 -10.88 20.29 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.43 -20.73 1.83 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.568 1.076 . . . . 0.0 113.658 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.8 mt -107.54 -44.41 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.889 1.222 . . . . 0.0 109.689 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -122.6 14.5 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.568 0.747 . . . . 0.0 112.183 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.42 -35.18 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.465 1.106 . . . . 0.0 112.61 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -89.84 -7.31 54.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.91 0.884 . . . . 0.0 112.097 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.65 172.3 13.27 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.4 0.619 . . . . 0.0 112.005 -174.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -153.2 -43.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.619 1.168 . . . . 0.0 109.496 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.78 176.02 5.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.056 1.342 . . . . 0.0 108.935 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 120.767 -1.208 . . . . 0.0 111.4 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.22 -41.75 94.12 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.0 -34.61 76.83 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 110.75 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -66.15 -41.73 90.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.998 0.817 . . . . 0.0 110.382 175.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.0 93.43 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.46 0.573 . . . . 0.0 110.277 175.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -37.24 86.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.984 175.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.88 -51.61 56.07 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -56.77 -47.02 81.07 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.23 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.7 -53.41 58.45 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.654 0.382 . . . . 0.0 110.778 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.25 -35.07 73.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.01 -174.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.3 -47.49 84.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.9 0.773 . . . . 0.0 110.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.61 -44.4 82.19 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-O 118.921 -0.562 . . . . 0.0 109.877 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.93 -33.65 72.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.685 0.675 . . . . 0.0 111.976 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.14 -23.2 47.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.102 0.561 . . . . 0.0 112.46 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -99.99 -44.97 5.84 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.16 125.33 26.04 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.93 0.892 . . . . 0.0 109.639 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -82.58 45.86 1.01 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.507 1.523 . . . . 0.0 110.5 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.409 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 24.2 p90 -64.31 160.04 53.33 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.132 -0.98 . . . . 0.0 110.524 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.37 148.77 77.78 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 119.94 1.014 . . . . 0.0 110.945 -8.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -150.98 163.85 37.77 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.146 0.579 . . . . 0.0 109.585 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.42 147.85 26.89 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.35 -0.844 . . . . 0.0 108.965 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.06 166.47 31.51 Favored Glycine 0 N--CA 1.449 -0.495 0 O-C-N 121.248 -0.907 . . . . 0.0 110.893 172.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -98.63 126.2 44.15 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 169.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -83.11 106.87 15.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.6 64.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 106.438 -1.689 . . . . 0.0 106.438 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -60.44 114.1 2.77 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.576 1.151 . . . . 0.0 109.49 -171.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -80.02 126.2 30.74 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 171.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 p -175.37 -30.74 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -60.42 121.33 11.8 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.809 0.731 . . . . 0.0 110.976 -169.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.8 tttt 39.06 -96.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.913 2.085 . . . . 0.0 111.932 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -71.38 36.81 0.06 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.141 2.576 . . . . 0.0 113.159 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m 52.58 34.38 15.57 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.045 1.338 . . . . 0.0 111.7 -173.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.7 153.59 41.1 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 125.043 1.337 . . . . 0.0 108.876 -177.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.0 mm -72.52 143.65 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.93 0.892 . . . . 0.0 109.243 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -130.94 153.78 48.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.49 138.82 54.31 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -141.57 144.96 34.53 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -102.42 129.02 48.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.5 m -140.97 158.46 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 122.256 1.027 . . . . 0.0 111.347 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.13 123.0 46.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 168.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -81.49 137.62 20.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.31 -26.81 15.24 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 123.562 0.745 . . . . 0.0 109.977 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.04 177.36 35.03 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.5 mmm -62.65 148.36 46.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.19 165.16 18.13 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.2 152.96 62.36 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.264 1.309 . . . . 0.0 110.891 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -58.25 -28.35 64.84 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.469 0.707 . . . . 0.0 112.064 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.13 -29.3 70.69 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.279 1.031 . . . . 0.0 112.54 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.88 -31.38 35.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.807 0.443 . . . . 0.0 109.991 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -83.34 23.46 0.91 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.054 . . . . 0.0 112.809 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -21.68 56.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.465 1.106 . . . . 0.0 112.585 -173.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -135.33 -17.22 1.8 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -156.42 165.64 35.74 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -92.22 144.29 25.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -140.48 156.38 46.37 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.149 0.58 . . . . 0.0 110.402 -175.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.62 141.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.462 1.505 . . . . 0.0 107.462 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -77.93 134.55 37.86 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.49 150.01 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.331 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.77 135.62 53.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.065 1.346 . . . . 0.0 108.24 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.23 90.22 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.374 1.07 . . . . 0.0 110.604 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.3 mt -47.59 128.31 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.566 1.547 . . . . 0.0 109.864 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.43 12.82 64.33 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-O 118.736 -1.035 . . . . 0.0 114.718 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -127.66 -90.96 0.71 Allowed Glycine 0 C--N 1.336 0.57 0 N-CA-C 108.047 -2.021 . . . . 0.0 108.047 174.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -62.99 -43.44 98.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.848 0.824 . . . . 0.0 109.226 169.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.3 t70 56.88 -17.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 130.562 3.545 . . . . 0.0 117.921 169.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -140.62 18.29 2.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.558 1.543 . . . . 0.0 110.778 -170.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -141.72 161.87 36.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.05 1.34 . . . . 0.0 108.369 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.1 p -132.08 153.29 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.616 1.166 . . . . 0.0 110.18 -169.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -141.54 -172.73 3.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.651 2.381 . . . . 0.0 107.665 -170.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.58 140.64 51.15 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.78 48.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.42 1.488 . . . . 0.0 108.215 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -72.07 138.08 47.57 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.16 -27.2 69.21 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.5 m -64.06 -1.51 1.56 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.863 1.665 . . . . 0.0 113.709 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.45 10.77 4.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.955 1.302 . . . . 0.0 110.354 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -113.92 148.6 16.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 O-C-N 120.888 -1.132 . . . . 0.0 108.563 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -134.49 114.86 13.29 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.24 41.17 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.382 0.61 . . . . 0.0 110.84 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.9 mt -121.65 132.93 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.067 1.347 . . . . 0.0 107.395 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.96 38.77 21.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.979 1.712 . . . . 0.0 113.911 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.4 m -89.04 174.53 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.43 0.692 . . . . 0.0 111.148 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.81 162.63 23.57 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.897 0.856 . . . . 0.0 110.108 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.94 -38.8 89.85 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.631 1.172 . . . . 0.0 110.891 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -72.54 -31.03 64.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.644 0.656 . . . . 0.0 110.912 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.9 m -69.26 -46.96 66.0 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -44.68 95.15 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -62.48 -41.98 99.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.416 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.15 96.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.117 0.871 . . . . 0.0 111.074 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -66.76 -52.36 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.59 -44.8 81.41 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.188 0.595 . . . . 0.0 110.478 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.59 -36.72 85.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.443 0.697 . . . . 0.0 111.872 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -68.68 -41.0 79.85 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.796 0.438 . . . . 0.0 110.713 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.89 -30.58 70.78 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.469 -0.769 . . . . 0.0 110.903 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -64.44 -52.89 55.79 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 119.298 0.954 . . . . 0.0 108.663 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -52.5 -42.55 64.41 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.277 0.944 . . . . 0.0 111.569 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 tp -58.42 -52.92 63.59 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.231 1.012 . . . . 0.0 110.296 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.62 -25.97 68.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.409 0.684 . . . . 0.0 112.69 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -72.17 -12.45 61.19 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.097 0.862 . . . . 0.0 111.64 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.52 36.76 32.85 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.907 -0.941 . . . . 0.0 111.041 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 60.34 -179.95 0.1 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.204 2.202 . . . . 0.0 113.422 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -134.31 -41.45 0.8 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.735 0.814 . . . . 0.0 110.685 169.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.25 1.118 0 CA-C-N 118.935 0.789 . . . . 0.0 109.477 170.189 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ptm . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.611 0.244 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.78 160.62 42.03 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.974 1.31 . . . . 0.0 108.814 173.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -133.89 18.91 3.81 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.378 1.071 . . . . 0.0 112.189 -171.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 p -146.44 45.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 125.017 1.327 . . . . 0.0 107.502 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.8 -24.28 35.0 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.672 1.589 . . . . 0.0 114.788 -169.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.01 5.43 16.43 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.889 -1.132 . . . . 0.0 111.861 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -106.17 17.61 23.25 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.99 1.316 . . . . 0.0 111.581 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -57.19 -18.52 16.0 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.542 1.137 . . . . 0.0 111.621 169.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 p -50.22 -51.76 41.58 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.891 1.676 . . . . 0.0 110.061 169.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -70.7 -33.43 70.87 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -61.85 -39.13 90.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 119.346 0.976 . . . . 0.0 111.017 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -39.95 96.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.361 0.528 . . . . 0.0 110.739 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -64.5 -45.88 85.36 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.706 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mt -55.43 -49.76 70.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 123.828 0.851 . . . . 0.0 109.2 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.7 -34.48 71.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.825 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 p -104.55 -10.19 17.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -134.61 -15.31 2.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -172.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -122.15 -43.92 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 119.9 1.227 . . . . 0.0 110.298 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.1 pt -119.85 15.28 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.779 0.832 . . . . 0.0 111.892 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.93 -33.5 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.952 0.901 . . . . 0.0 112.098 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.9 -8.03 52.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.981 0.912 . . . . 0.0 112.136 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 173.25 11.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.653 0.781 . . . . 0.0 111.52 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.55 -40.47 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.221 1.008 . . . . 0.0 110.309 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -133.0 172.39 12.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.754 1.221 . . . . 0.0 108.593 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.45 -37.69 65.48 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.047 1.739 . . . . 0.0 113.601 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.15 -40.97 86.78 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -72.26 -35.66 68.82 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.806 -0.559 . . . . 0.0 110.177 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -64.82 -41.32 95.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.958 0.799 . . . . 0.0 109.741 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.54 98.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 119.253 -0.403 . . . . 0.0 110.341 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mmt -62.97 -39.21 94.0 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.98 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.15 -50.83 62.62 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.227 0.921 . . . . 0.0 110.973 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -57.39 -49.64 75.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.863 0.331 . . . . 0.0 111.509 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.02 -47.4 86.02 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.466 0.706 . . . . 0.0 110.651 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.9 -43.27 93.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.214 0.461 . . . . 0.0 110.12 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -64.05 -46.04 86.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.858 0.299 . . . . 0.0 110.467 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.0 -43.65 87.1 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.172 0.589 . . . . 0.0 110.126 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.83 -32.75 70.95 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.675 0.671 . . . . 0.0 112.005 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.94 -21.43 40.44 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -100.59 -46.29 5.24 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.259 0.624 . . . . 0.0 112.23 -169.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.1 mt -68.92 127.29 32.58 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -169.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.99 37.45 0.6 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.846 0.858 . . . . 0.0 112.494 -171.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -58.64 154.33 35.89 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.671 0.789 . . . . 0.0 112.626 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.08 142.39 65.03 Favored 'Cis proline' 0 CA--C 1.536 0.622 0 CA-C-N 119.149 0.732 . . . . 0.0 111.557 -4.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.99 157.52 44.28 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.218 1.007 . . . . 0.0 108.788 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.7 ttt -87.62 144.35 26.72 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.142 -0.974 . . . . 0.0 109.579 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 167.87 31.52 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.278 -0.889 . . . . 0.0 111.336 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -96.35 124.6 40.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -86.13 100.1 11.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 169.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -87.44 67.79 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -63.78 124.73 22.23 Favored 'General case' 0 N--CA 1.46 0.026 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -171.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -81.46 125.48 30.5 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 170.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.6 m -146.2 -178.49 6.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.308 1.443 . . . . 0.0 109.387 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 74.75 156.88 0.18 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.17 1.788 . . . . 0.0 111.217 171.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.4 -27.23 67.29 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.295 -0.878 . . . . 0.0 111.712 175.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -80.5 0.58 33.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.233 1.813 . . . . 0.0 112.937 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m 54.63 37.48 28.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.62 1.168 . . . . 0.0 111.768 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.5 m -72.44 137.03 46.16 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.275 1.83 . . . . 0.0 109.47 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 mm -75.26 130.14 36.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 169.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -126.46 97.85 5.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.06 149.64 39.11 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.808 -0.558 . . . . 0.0 111.403 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -139.77 148.51 42.34 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 169.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 m -101.06 127.98 47.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -140.12 161.15 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.335 1.064 . . . . 0.0 111.527 -169.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.53 116.0 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 168.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.12 117.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -87.48 -27.88 22.39 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.414 0.686 . . . . 0.0 111.499 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.43 178.79 38.14 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -62.7 149.41 43.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 169.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.26 167.48 10.08 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.191 0.596 . . . . 0.0 110.135 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -51.61 154.1 9.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.969 2.446 . . . . 0.0 112.841 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.19 -28.19 64.56 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.85 0.86 . . . . 0.0 111.837 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.06 -31.02 70.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.873 0.869 . . . . 0.0 111.924 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -93.1 -39.63 10.96 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.331 0.653 . . . . 0.0 109.256 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.9 m -70.72 3.09 3.42 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.98 -20.21 49.7 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.413 1.485 . . . . 0.0 110.971 169.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -108.22 -38.91 5.63 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.176 0.59 . . . . 0.0 110.524 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -163.86 167.34 20.87 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -79.16 124.48 28.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 120.84 1.654 . . . . 0.0 108.819 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -130.38 155.64 46.05 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.232 1.013 . . . . 0.0 109.241 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.83 141.27 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.961 1.305 . . . . 0.0 108.073 -174.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.09 131.65 36.32 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.19 138.82 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.69 128.82 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.25 89.23 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.707 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt -47.66 129.16 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.917 1.687 . . . . 0.0 109.248 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.02 2.88 54.37 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.531 -1.149 . . . . 0.0 114.776 170.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.6 -87.35 1.22 Allowed Glycine 0 C--N 1.337 0.622 0 N-CA-C 107.216 -2.354 . . . . 0.0 107.216 173.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -62.07 -48.27 80.94 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 169.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.8 t70 57.41 -17.76 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 129.865 3.266 . . . . 0.0 116.637 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -145.28 17.97 1.54 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.253 1.821 . . . . 0.0 110.8 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -138.34 164.18 29.94 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.431 1.492 . . . . 0.0 107.54 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.22 153.29 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.52 0.728 . . . . 0.0 112.544 -167.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -118.5 177.12 4.94 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.427 2.691 . . . . 0.0 108.574 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.9 m -127.36 136.56 52.06 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.0 150.25 52.21 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.238 1.415 . . . . 0.0 108.424 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -73.33 136.56 44.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.12 -24.73 63.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.066 0.546 . . . . 0.0 110.938 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -60.84 -19.37 59.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.545 1.538 . . . . 0.0 113.142 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.72 14.64 18.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 125.046 1.338 . . . . 0.0 109.376 -176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.21 144.61 20.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 O-C-N 120.642 -1.286 . . . . 0.0 108.754 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -132.9 112.4 11.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.4 153.19 43.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.733 -0.604 . . . . 0.0 110.539 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -121.46 131.18 73.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.56 37.26 8.85 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.149 1.78 . . . . 0.0 113.44 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.522 HG21 HG21 ' A' ' 109' ' ' THR . 3.2 p -95.29 172.03 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.462 0.705 . . . . 0.0 110.742 -175.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.61 158.69 29.27 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 122.047 0.927 . . . . 0.0 110.451 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.73 -39.97 90.64 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.241 1.016 . . . . 0.0 110.855 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.78 -32.08 63.61 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.141 0.428 . . . . 0.0 110.905 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.522 HG21 HG21 ' A' ' 105' ' ' VAL . 87.4 m -67.85 -46.68 71.07 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -45.43 94.78 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.13 -41.73 97.26 Favored 'General case' 0 C--O 1.23 0.05 0 CA-C-N 118.844 0.747 . . . . 0.0 111.729 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.28 99.19 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.439 0.563 . . . . 0.0 111.071 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.2 mt -67.67 -50.41 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 C-N-CA 123.398 0.679 . . . . 0.0 109.241 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.0 71.23 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.397 0.679 . . . . 0.0 110.34 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -64.09 -33.35 75.56 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 122.964 0.506 . . . . 0.0 112.275 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.32 -40.63 90.05 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.305 -0.872 . . . . 0.0 110.432 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.87 -36.29 80.02 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.475 -0.766 . . . . 0.0 110.673 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -68.63 -40.66 80.2 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.309 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -55.88 -37.52 68.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.833 1.253 . . . . 0.0 111.04 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -50.75 71.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.494 0.718 . . . . 0.0 109.782 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.5 -21.02 59.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.534 0.734 . . . . 0.0 112.667 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -81.03 1.17 32.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.03 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.37 32.84 76.19 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 118.453 -1.193 . . . . 0.0 112.969 171.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 59.66 172.26 0.08 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.387 2.275 . . . . 0.0 114.672 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -138.22 -3.31 1.77 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.351 1.061 . . . . 0.0 112.509 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 . . . . . 0 C--O 1.251 1.135 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.323 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.28 -19.6 62.32 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.618 0.767 . . . . 0.0 112.924 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m 53.1 27.08 5.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.739 1.616 . . . . 0.0 113.478 -174.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -60.28 154.17 4.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 169.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.85 120.98 8.81 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -172.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 38.0 62.12 0.98 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 126.817 2.047 . . . . 0.0 112.232 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -42.81 -38.83 2.27 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.911 1.284 . . . . 0.0 113.777 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.32 -36.46 58.28 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.513 -0.742 . . . . 0.0 111.959 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.7 m -65.55 -33.35 75.71 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.566 0.621 . . . . 0.0 109.586 170.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -59.54 5.27 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 173.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -55.15 -45.66 75.68 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.403 0.547 . . . . 0.0 110.535 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -58.03 -55.72 31.24 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.309 0.644 . . . . 0.0 111.742 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -79.07 -30.37 43.92 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.396 -0.815 . . . . 0.0 111.659 -169.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.35 -52.11 64.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.68 -41.93 98.23 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.634 0.374 . . . . 0.0 111.652 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.4 p -87.83 -13.64 41.61 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -172.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -133.08 -17.39 2.4 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -121.28 -42.92 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 119.41 1.004 . . . . 0.0 110.048 -169.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 pt -117.19 15.65 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 123.481 0.712 . . . . 0.0 111.74 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.56 -33.93 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 124.142 0.977 . . . . 0.0 111.744 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.03 -8.88 56.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.099 0.96 . . . . 0.0 112.198 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.23 172.22 12.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.469 0.652 . . . . 0.0 111.701 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -149.85 -33.03 0.19 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.397 1.079 . . . . 0.0 111.153 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -142.85 173.84 11.19 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.32 1.448 . . . . 0.0 107.468 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.66 -27.72 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.64 -40.18 92.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.677 0.671 . . . . 0.0 109.409 172.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -71.03 -31.23 67.65 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.679 -0.638 . . . . 0.0 110.599 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -65.13 -44.54 88.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.211 0.914 . . . . 0.0 109.239 174.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.19 94.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.573 0.349 . . . . 0.0 110.552 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -64.76 -38.37 90.76 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.225 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.08 -51.13 60.22 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.445 1.02 . . . . 0.0 110.798 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.53 -47.97 80.55 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.591 0.356 . . . . 0.0 111.515 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -60.89 -47.34 86.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.126 0.571 . . . . 0.0 110.271 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -67.06 -40.61 87.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.705 0.684 . . . . 0.0 110.67 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -63.51 -47.07 83.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.247 0.476 . . . . 0.0 110.264 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.49 -40.53 80.87 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.041 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -35.07 73.49 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 111.768 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -78.34 -22.85 47.39 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.3 m -100.25 -46.56 5.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -69.98 132.44 45.94 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.595 0.758 . . . . 0.0 110.214 -169.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.96 24.58 0.4 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.611 1.164 . . . . 0.0 113.56 -176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -58.49 155.21 29.64 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.178 -0.951 . . . . 0.0 111.767 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.62 144.3 63.17 Favored 'Cis proline' 0 C--N 1.351 0.702 0 CA-C-N 119.834 0.977 . . . . 0.0 111.457 -3.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -147.49 167.22 25.02 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.177 0.591 . . . . 0.0 109.838 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ttt -91.71 147.0 23.31 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.395 -0.816 . . . . 0.0 109.246 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.99 177.36 31.48 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 173.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -102.32 124.73 48.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.42 103.1 10.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 169.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -88.28 64.54 7.66 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.554 1.942 . . . . 0.0 106.208 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.01 133.72 55.03 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -55.14 140.66 37.64 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.935 1.243 . . . . 0.0 108.71 169.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -53.67 149.9 7.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.371 0.605 . . . . 0.0 111.038 172.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -57.74 -31.4 66.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.615 1.166 . . . . 0.0 111.84 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -135.29 166.22 23.64 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.234 1.814 . . . . 0.0 106.431 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 56' ' ' SER . 4.2 m 60.17 -170.57 0.14 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.603 0.761 . . . . 0.0 109.68 -171.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.637 ' H ' HG22 ' A' ' 55' ' ' THR . 15.7 m -122.59 21.48 10.12 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.899 1.28 . . . . 0.0 111.359 -173.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -72.07 -174.23 1.21 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.265 1.426 . . . . 0.0 109.928 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.1 mm -130.3 142.13 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -171.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -113.44 149.24 34.5 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.08 126.01 40.37 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.32 -0.862 . . . . 0.0 109.314 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -137.86 130.75 30.03 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.6 m -79.12 130.22 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 m -142.43 160.77 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 122.136 0.97 . . . . 0.0 111.937 -169.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -110.94 122.28 47.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 168.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -83.37 139.51 17.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.92 -19.6 19.41 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.131 0.572 . . . . 0.0 110.722 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.58 171.55 20.85 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.2 mtp -65.09 151.1 46.91 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.6 166.37 9.51 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 123.202 0.601 . . . . 0.0 110.338 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.66 155.53 7.61 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.034 2.489 . . . . 0.0 112.928 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.78 -29.42 62.65 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.835 0.854 . . . . 0.0 111.848 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.12 -31.9 71.59 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.69 0.796 . . . . 0.0 111.934 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.28 -38.39 12.69 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -69.56 6.51 1.07 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.28 -17.7 51.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.511 1.524 . . . . 0.0 111.804 169.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -117.75 -28.34 6.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.924 0.784 . . . . 0.0 113.018 -169.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.13 169.75 21.74 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mmt -83.65 127.99 34.19 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -132.01 156.2 46.67 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.521 0.728 . . . . 0.0 110.086 -174.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -141.48 139.54 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.955 1.302 . . . . 0.0 108.596 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.89 136.87 38.86 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.6 p -149.88 144.79 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.301 -0.249 . . . . 0.0 110.763 -168.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.81 140.06 47.8 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.747 1.219 . . . . 0.0 108.839 -175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.11 114.84 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.964 0.906 . . . . 0.0 110.845 -175.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.7 mt -75.64 -28.05 19.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.83 -35.1 73.46 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.663 1.125 . . . . 0.0 112.88 -173.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.06 -35.99 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 CA-C-O 117.925 -1.486 . . . . 0.0 115.735 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -47.32 66.1 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.227 2.013 . . . . 0.0 109.956 -170.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.9 t70 58.41 -22.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 129.208 3.003 . . . . 0.0 116.78 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -140.66 21.71 2.33 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.611 1.565 . . . . 0.0 111.066 -169.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -135.91 155.32 50.47 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.966 1.306 . . . . 0.0 108.237 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.4 p -138.33 157.96 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 124.036 0.934 . . . . 0.0 111.037 -168.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -140.61 -176.24 4.57 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.735 2.414 . . . . 0.0 108.501 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.49 141.29 51.04 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.71 160.23 38.17 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.84 1.256 . . . . 0.0 108.993 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -75.06 140.27 43.39 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 169.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.49 -28.41 65.36 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 169.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m -56.6 -24.31 46.81 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.804 2.042 . . . . 0.0 114.064 174.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.16 12.05 27.0 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.091 1.356 . . . . 0.0 110.075 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -119.2 151.51 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 O-C-N 120.257 -1.527 . . . . 0.0 108.643 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -138.36 134.76 34.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.51 154.25 21.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.586 0.708 . . . . 0.0 110.668 -173.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.2 mt -122.95 132.52 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.29 31.27 9.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.868 1.667 . . . . 0.0 114.444 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 m -82.99 174.26 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 121.22 -0.925 . . . . 0.0 111.135 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.33 161.12 17.42 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.986 0.898 . . . . 0.0 109.151 169.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.41 -41.17 98.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.185 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -72.11 -28.56 63.37 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.285 0.493 . . . . 0.0 111.324 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.0 m -69.45 -48.24 61.47 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.768 -0.826 . . . . 0.0 108.768 173.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.83 -41.67 99.43 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.562 0.619 . . . . 0.0 109.773 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -59.26 -44.41 92.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.943 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.11 93.71 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.042 0.837 . . . . 0.0 111.32 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.92 -50.79 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.184 0.594 . . . . 0.0 109.6 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.79 88.53 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.51 0.596 . . . . 0.0 110.524 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.54 -40.74 97.81 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 111.469 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -62.9 -43.86 97.66 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 119.08 -0.486 . . . . 0.0 109.695 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.31 -32.73 74.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.937 0.79 . . . . 0.0 111.676 -176.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -65.52 -49.85 67.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.611 1.096 . . . . 0.0 110.703 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -59.26 -42.03 90.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.741 0.816 . . . . 0.0 110.806 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.11 -52.54 65.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.434 1.894 . . . . 0.0 110.075 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.39 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.567 0.747 . . . . 0.0 112.137 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -70.41 -6.47 35.9 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.1 36.46 72.12 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-N 119.805 1.184 . . . . 0.0 111.621 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -35.55 -65.93 0.22 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 127.891 2.476 . . . . 0.0 115.707 -176.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp 51.11 34.09 10.43 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.384 2.274 . . . . 0.0 112.513 -171.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 127.36 2.264 . . . . 0.0 110.293 -179.603 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.64 118.57 4.99 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -142.13 32.1 1.55 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.902 1.281 . . . . 0.0 109.745 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.55 -31.76 51.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.264 1.026 . . . . 0.0 113.007 -169.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -158.85 -127.41 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 170.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -77.95 45.38 0.52 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.082 2.153 . . . . 0.0 108.447 169.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -25.99 -56.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 129.8 3.24 . . . . 0.0 115.468 -169.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.56 -32.9 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -172.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -68.67 -37.58 79.73 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 170.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -68.68 -48.13 64.7 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.558 -177.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.91 -34.76 79.16 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.126 0.876 . . . . 0.0 110.687 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -66.62 -39.28 88.26 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.451 0.569 . . . . 0.0 111.27 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -73.13 -33.27 65.43 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.375 -1.453 . . . . 0.0 111.424 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mt -57.13 -51.09 73.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.18 -33.57 69.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 112.251 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 p -107.1 -10.59 15.85 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -132.65 -14.98 2.78 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.129 0.877 . . . . 0.0 112.882 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mt -121.37 -47.2 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.543 1.065 . . . . 0.0 109.927 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.8 pt -115.69 13.47 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.973 0.806 . . . . 0.0 112.064 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.87 -34.07 36.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.907 0.883 . . . . 0.0 112.022 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.38 -9.85 53.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.107 0.963 . . . . 0.0 112.184 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.71 178.78 7.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.922 0.889 . . . . 0.0 111.643 -175.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.46 -43.22 0.22 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.01 0.924 . . . . 0.0 110.536 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -141.52 171.6 13.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.328 1.451 . . . . 0.0 108.105 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -49.25 -37.76 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.467 1.907 . . . . 0.0 114.751 -169.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.17 -42.96 75.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.66 0.663 . . . . 0.0 109.54 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -69.54 -32.91 72.01 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.336 0.654 . . . . 0.0 110.29 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -70.04 -40.91 74.85 Favored 'General case' 0 N--CA 1.462 0.154 0 O-C-N 121.528 -0.733 . . . . 0.0 109.043 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.69 -43.38 85.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.243 0.474 . . . . 0.0 110.465 171.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -64.72 -38.55 91.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.489 0.586 . . . . 0.0 111.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.83 -51.3 57.87 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -58.41 -47.47 83.8 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.288 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -57.89 -53.46 58.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.121 0.568 . . . . 0.0 110.717 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.36 -30.61 63.42 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.096 -173.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.45 -46.3 86.9 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.142 0.883 . . . . 0.0 110.167 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.71 -45.11 87.97 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.694 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.71 -33.82 70.62 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.602 0.637 . . . . 0.0 112.02 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.33 -22.02 45.09 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.27 0.628 . . . . 0.0 112.507 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -99.32 -45.95 5.69 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.118 0.567 . . . . 0.0 111.807 -170.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.01 125.32 25.95 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.905 0.882 . . . . 0.0 109.072 -169.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -82.88 49.73 1.57 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.258 1.423 . . . . 0.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 27.6 p90 -63.72 158.43 60.44 Favored Pre-proline 0 CA--C 1.545 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 110.661 173.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.74 144.39 64.1 Favored 'Cis proline' 0 C--N 1.35 0.612 0 CA-C-N 119.829 0.975 . . . . 0.0 110.752 -7.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -146.11 161.75 39.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttt -90.99 144.68 25.41 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.532 -0.73 . . . . 0.0 109.111 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.43 170.41 32.86 Favored Glycine 0 C--N 1.332 0.353 0 O-C-N 121.509 -0.744 . . . . 0.0 111.871 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -100.6 127.45 46.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -84.03 106.55 15.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -89.8 66.57 7.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 125.071 1.348 . . . . 0.0 107.386 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.79 112.87 1.79 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -84.15 -34.67 23.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.473 0.579 . . . . 0.0 109.941 175.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 m -73.53 18.05 0.13 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.924 1.29 . . . . 0.0 112.784 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -63.87 -43.18 96.83 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.155 -0.966 . . . . 0.0 112.173 -171.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -159.83 -47.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.413 -169.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 m -144.46 34.63 1.18 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.208 0.913 . . . . 0.0 110.25 -169.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 m 54.62 54.36 9.35 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 122.287 1.042 . . . . 0.0 109.289 -169.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 p -133.88 130.79 38.34 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 127.085 2.154 . . . . 0.0 107.175 -169.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.3 mm -67.19 135.6 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.25 148.76 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.91 137.61 51.03 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.966 0.506 . . . . 0.0 110.104 -169.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -134.4 139.08 45.33 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.6 m -94.83 125.59 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.9 155.92 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 122.199 1.0 . . . . 0.0 110.962 -169.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -105.23 118.84 37.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 169.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -79.3 140.85 16.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 173.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.06 -24.58 14.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.235 0.614 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.43 178.04 35.96 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 93.9 mmm -62.13 150.19 39.28 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 169.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 165.93 8.17 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.35 145.78 97.94 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 CA-C-N 120.394 1.177 . . . . 0.0 110.312 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -58.77 -27.91 65.43 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.849 0.86 . . . . 0.0 111.895 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.88 -24.29 66.84 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.859 1.264 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.53 -8.35 35.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.368 0.667 . . . . 0.0 111.301 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -105.31 24.4 12.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.946 0.898 . . . . 0.0 112.537 -169.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -20.13 61.23 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.693 0.797 . . . . 0.0 112.184 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -126.72 -20.7 4.23 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -162.84 161.5 26.01 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 141.39 28.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.597 0.759 . . . . 0.0 110.299 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.77 158.3 44.16 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.154 0.982 . . . . 0.0 110.412 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.06 144.83 32.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.559 1.544 . . . . 0.0 107.797 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.75 135.18 35.94 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.5 152.01 21.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 123.131 0.572 . . . . 0.0 110.18 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.27 137.04 53.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.68 125.82 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.755 0.422 . . . . 0.0 110.5 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.5 mt -83.37 -22.8 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.51 -43.53 94.07 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.233 0.921 . . . . 0.0 112.571 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.02 -27.62 0.04 OUTLIER Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.066 -0.852 . . . . 0.0 114.518 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -82.64 36.17 0.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.498 1.649 . . . . 0.0 111.288 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.85 -22.2 64.0 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.001 1.32 . . . . 0.0 111.848 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.12 -11.36 29.49 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.432 1.493 . . . . 0.0 113.021 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -135.72 166.21 23.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.867 1.267 . . . . 0.0 109.981 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.8 t -136.85 151.53 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -137.65 178.52 7.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 126.433 1.893 . . . . 0.0 109.025 -169.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.2 m -127.66 135.76 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.94 151.85 49.21 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.052 1.341 . . . . 0.0 107.791 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -64.04 126.66 28.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 m -69.61 -4.72 20.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.355 2.262 . . . . 0.0 113.028 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.74 12.84 9.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.876 1.67 . . . . 0.0 109.222 177.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -111.13 147.74 14.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 O-C-N 120.467 -1.396 . . . . 0.0 108.609 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.11 112.19 11.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.21 152.1 45.49 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.338 0.59 . . . . 0.0 110.472 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.6 mt -119.43 132.1 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.05 39.39 11.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.072 1.749 . . . . 0.0 113.3 173.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.424 HG21 HG21 ' A' ' 109' ' ' THR . 2.3 p -96.72 171.81 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.469 0.708 . . . . 0.0 110.508 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.22 157.68 36.46 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.328 0.585 . . . . 0.0 110.9 178.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.9 -38.32 72.64 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.621 0.768 . . . . 0.0 113.042 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -75.61 -38.12 59.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.274 0.943 . . . . 0.0 110.67 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.424 HG21 HG21 ' A' ' 105' ' ' VAL . 27.4 m -60.89 -47.32 86.95 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.153 0.981 . . . . 0.0 109.37 170.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -63.19 -45.18 92.96 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -60.39 -44.9 95.22 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.312 0.645 . . . . 0.0 111.17 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.28 95.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.172 0.442 . . . . 0.0 110.588 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.6 -51.48 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.991 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.14 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.086 0.857 . . . . 0.0 110.557 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.09 -41.64 92.94 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.707 0.803 . . . . 0.0 111.348 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -67.11 -41.2 86.6 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.211 0.46 . . . . 0.0 110.697 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.52 -44.92 77.23 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.636 0.653 . . . . 0.0 110.874 -175.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.251 1.8 p90 -76.27 -23.14 54.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.523 1.056 . . . . 0.0 111.642 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -66.88 -37.26 84.07 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.736 1.153 . . . . 0.0 109.14 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.51 -49.25 75.27 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.32 172.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -22.81 67.11 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.182 0.993 . . . . 0.0 112.76 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -69.29 -10.53 58.29 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.993 0.917 . . . . 0.0 112.018 176.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.15 40.25 34.9 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -52.88 156.41 2.03 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.958 1.303 . . . . 0.0 112.512 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -145.88 19.66 1.45 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.486 1.914 . . . . 0.0 109.639 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--O 1.249 1.07 0 C-N-CA 125.614 1.566 . . . . 0.0 108.322 -168.494 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.37 168.36 9.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.116 0.566 . . . . 0.0 111.409 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -128.12 34.93 4.51 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.157 1.383 . . . . 0.0 109.782 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 4' ' ' VAL . 4.0 m -73.53 -13.48 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 125.368 1.467 . . . . 0.0 113.227 -172.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -63.36 157.38 23.22 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.212 0.915 . . . . 0.0 111.331 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -59.14 -51.61 69.27 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.414 0.685 . . . . 0.0 110.36 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -166.85 172.56 10.26 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 126.916 2.086 . . . . 0.0 106.283 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.06 -17.33 17.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.918 0.887 . . . . 0.0 112.519 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 m -51.58 -39.27 57.55 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.606 1.163 . . . . 0.0 110.992 169.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -67.11 -39.39 86.66 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.215 -0.928 . . . . 0.0 110.385 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -62.99 -38.49 91.4 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.173 0.897 . . . . 0.0 110.513 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -65.15 -40.98 95.15 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.11 -0.369 . . . . 0.0 110.962 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -67.87 -36.89 81.06 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.03 -1.044 . . . . 0.0 111.251 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -58.61 -53.16 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 171.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.42 -40.38 94.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.08 0.552 . . . . 0.0 111.99 -174.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -83.77 -9.18 58.99 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.168 1.174 . . . . 0.0 114.168 -169.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.5 -24.74 0.14 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -79.25 -40.67 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 120.472 1.487 . . . . 0.0 109.341 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.11 15.34 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.856 0.862 . . . . 0.0 112.387 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.91 -33.58 35.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.539 -0.726 . . . . 0.0 112.265 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.72 -8.11 55.08 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.225 1.01 . . . . 0.0 112.135 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.42 171.86 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.681 -0.637 . . . . 0.0 111.613 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -150.31 -42.54 0.13 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.266 1.026 . . . . 0.0 110.156 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -121.42 178.17 4.91 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.876 1.271 . . . . 0.0 109.045 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -64.08 -37.88 89.04 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.902 -1.124 . . . . 0.0 112.183 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.69 -41.22 88.42 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -66.64 -34.19 77.31 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.008 -0.433 . . . . 0.0 110.503 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -68.22 -43.56 77.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.888 0.767 . . . . 0.0 110.12 176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.61 85.83 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.709 0.686 . . . . 0.0 110.517 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -37.47 85.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.696 -0.668 . . . . 0.0 112.114 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.57 -51.61 55.44 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -56.42 -47.36 79.19 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.22 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.46 -53.49 57.52 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.298 0.499 . . . . 0.0 110.786 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.52 -31.65 67.29 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.421 0.555 . . . . 0.0 111.276 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.67 -45.74 81.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.81 0.732 . . . . 0.0 110.314 175.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.11 -40.02 90.42 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.58 -0.724 . . . . 0.0 109.683 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.94 -34.42 73.22 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.063 0.847 . . . . 0.0 111.505 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.95 -22.09 46.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.166 0.586 . . . . 0.0 112.439 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.7 m -98.86 -47.25 5.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.001 0.52 . . . . 0.0 111.834 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.73 120.31 15.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -84.25 48.7 1.53 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.16 0.984 . . . . 0.0 109.99 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.41 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 16.8 p90 -63.45 159.43 50.83 Favored Pre-proline 0 CA--C 1.546 0.817 0 O-C-N 121.581 -0.699 . . . . 0.0 110.763 174.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.52 144.53 58.72 Favored 'Cis proline' 0 C--N 1.35 0.65 0 CA-C-N 119.998 1.035 . . . . 0.0 111.004 -5.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 160.74 41.05 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -88.58 144.32 26.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.38 171.07 31.63 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 119.201 0.909 . . . . 0.0 111.92 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -100.65 124.21 45.92 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 169.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.44 107.09 13.92 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -83.57 64.95 8.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.624 1.17 . . . . 0.0 107.865 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -65.73 127.51 32.24 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -78.84 125.06 28.86 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 m -151.94 -166.65 2.55 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.399 1.88 . . . . 0.0 109.062 -175.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 71.26 161.8 0.24 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.608 2.363 . . . . 0.0 111.499 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.25 -32.44 70.0 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.877 -0.514 . . . . 0.0 110.605 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -71.65 -9.42 58.22 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.858 1.263 . . . . 0.0 113.289 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.3 m 53.62 60.68 3.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.684 1.129 . . . . 0.0 110.46 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 p -126.17 163.73 22.5 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.418 1.887 . . . . 0.0 109.21 -170.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.3 mm -80.02 128.02 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -107.01 146.85 30.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 168.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.25 111.79 17.37 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -169.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -118.36 121.77 41.2 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -77.54 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.3 m -139.42 159.08 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.035 0.922 . . . . 0.0 110.558 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.77 123.2 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 168.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -85.01 130.52 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -88.18 -26.36 22.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.777 0.431 . . . . 0.0 110.418 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.76 176.04 34.42 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 95.0 mtp -64.09 150.69 44.96 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.31 166.79 15.11 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.9 149.71 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.628 2.219 . . . . 0.0 112.492 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.54 -30.19 64.99 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.846 0.459 . . . . 0.0 111.284 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.26 -26.61 68.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 112.52 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -81.49 -31.74 32.77 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.82 -0.55 . . . . 0.0 109.97 172.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.32 25.05 1.05 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.238 -169.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -19.95 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.33 1.052 . . . . 0.0 112.71 -175.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -133.35 -23.9 1.86 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.128 0.971 . . . . 0.0 113.049 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -155.59 158.66 38.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.53 143.85 29.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.8 158.46 44.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.967 0.907 . . . . 0.0 110.323 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.52 139.94 31.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 125.37 1.468 . . . . 0.0 108.022 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -78.78 135.13 37.01 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -139.22 151.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 123.035 0.534 . . . . 0.0 109.855 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.9 133.19 53.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -65.88 130.79 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt -96.84 -49.21 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.69 -26.94 71.34 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 123.861 0.743 . . . . 0.0 113.072 -170.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.74 50.94 0.57 Allowed Glycine 0 CA--C 1.523 0.543 0 C-N-CA 125.949 1.738 . . . . 0.0 109.588 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 150.69 2.35 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.529 0.731 . . . . 0.0 112.231 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -135.68 23.19 3.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.787 1.235 . . . . 0.0 110.101 176.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.4 t70 50.48 37.69 16.46 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.899 1.68 . . . . 0.0 111.665 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -137.15 163.16 31.49 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.773 1.629 . . . . 0.0 110.073 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t -134.19 153.88 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.85 1.66 . . . . 0.0 108.062 -169.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -139.89 -177.27 4.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.917 2.087 . . . . 0.0 108.969 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.49 139.56 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 161.77 28.64 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.877 1.671 . . . . 0.0 107.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -85.05 144.42 28.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.51 -30.59 70.72 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 168.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -62.2 -13.17 24.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.576 1.951 . . . . 0.0 114.933 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -131.73 19.52 4.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 120.248 1.386 . . . . 0.0 112.39 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.07 152.5 13.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.651 1.581 . . . . 0.0 108.143 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.47 134.4 33.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.83 158.12 29.63 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.808 0.813 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -124.4 131.82 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.64 41.2 13.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.887 1.675 . . . . 0.0 113.143 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 109' ' ' THR . 2.3 p -98.38 171.47 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.513 0.725 . . . . 0.0 110.396 -178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 157.89 37.22 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.53 0.681 . . . . 0.0 110.802 178.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.66 -38.01 74.37 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.72 -175.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.93 -38.26 57.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.112 0.869 . . . . 0.0 110.601 -174.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.467 HG21 HG21 ' A' ' 105' ' ' VAL . 38.0 m -59.45 -50.29 74.49 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.75 0.82 . . . . 0.0 109.162 170.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.31 -38.31 89.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.286 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.96 -43.03 94.01 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.793 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.77 95.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.923 0.783 . . . . 0.0 110.612 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.37 -53.62 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.316 0.646 . . . . 0.0 109.59 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.12 91.16 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.23 0.468 . . . . 0.0 110.983 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.48 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 10.2 t70 -62.37 -46.96 86.27 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 110.292 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -63.38 -37.48 87.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.471 0.308 . . . . 0.0 111.166 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.16 -42.43 75.93 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 121.571 -0.705 . . . . 0.0 110.455 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.48 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 3.0 p90 -71.75 -33.47 68.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.431 174.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -58.82 -37.88 77.42 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 120.787 1.63 . . . . 0.0 111.725 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.83 -48.32 80.1 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.745 -0.597 . . . . 0.0 109.58 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.15 66.85 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -66.87 -18.01 65.17 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 120.104 1.32 . . . . 0.0 111.674 172.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.28 37.5 41.9 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -169.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 57.31 -169.73 0.1 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.053 1.741 . . . . 0.0 113.437 172.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -129.27 -47.85 1.2 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.043 1.337 . . . . 0.0 109.375 169.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 49.2 p90 . . . . . 0 C--O 1.25 1.083 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.94 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.41 56.4 2.13 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.483 1.113 . . . . 0.0 110.706 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -71.85 22.33 0.05 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.084 2.154 . . . . 0.0 113.094 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 p -62.76 -22.74 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.17 1.788 . . . . 0.0 111.898 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.41 148.07 19.98 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.746 1.219 . . . . 0.0 111.796 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -64.59 -53.49 46.86 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.537 0.735 . . . . 0.0 110.855 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -173.98 160.54 3.53 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 126.942 2.097 . . . . 0.0 106.691 -173.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.74 -22.75 37.75 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.893 0.877 . . . . 0.0 112.592 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.0 m -51.16 -40.01 57.65 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.371 -0.83 . . . . 0.0 111.286 170.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -67.78 -37.82 82.55 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.936 1.244 . . . . 0.0 110.785 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -60.22 -44.23 95.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 119.024 0.829 . . . . 0.0 109.736 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -63.77 -43.97 94.8 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.166 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -63.17 -42.56 99.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.547 1.067 . . . . 0.0 110.75 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -55.39 -55.33 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.15 -35.59 79.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.889 0.876 . . . . 0.0 112.502 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.8 p -102.8 -12.75 17.36 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -137.3 -14.74 1.5 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.31 -47.89 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 120.139 1.336 . . . . 0.0 109.473 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -120.16 13.46 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.471 0.708 . . . . 0.0 112.083 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.25 -35.25 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.471 1.108 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.75 -6.47 48.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.918 0.887 . . . . 0.0 111.898 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.82 165.71 24.8 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.651 -0.656 . . . . 0.0 111.662 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' H ' ' HB2' ' A' ' 27' ' ' GLU . 37.1 tt0 -148.41 -27.69 0.32 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.094 0.958 . . . . 0.0 112.164 -175.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -148.1 174.15 12.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.099 1.36 . . . . 0.0 107.909 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -56.19 -36.44 68.39 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.846 1.259 . . . . 0.0 114.304 -170.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.96 -37.95 82.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 23' ' ' GLU . 48.3 mm-40 -73.07 -34.37 66.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.701 -0.624 . . . . 0.0 110.323 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -43.84 97.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.364 0.983 . . . . 0.0 109.235 172.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.92 93.23 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.349 0.522 . . . . 0.0 110.461 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -62.99 -40.48 97.88 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.153 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.06 -51.51 57.9 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.034 0.834 . . . . 0.0 111.106 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -59.18 -45.81 90.04 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.304 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -59.78 -48.86 79.99 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.327 0.651 . . . . 0.0 110.422 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -65.15 -41.2 94.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.558 0.617 . . . . 0.0 110.58 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.68 -46.0 77.07 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.099 0.409 . . . . 0.0 110.568 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.76 -40.2 88.16 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.74 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.89 -34.56 73.34 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.932 0.787 . . . . 0.0 111.567 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -78.8 -21.73 47.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.29 0.636 . . . . 0.0 112.404 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.9 m -100.17 -45.72 5.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.962 0.505 . . . . 0.0 112.236 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -71.3 126.32 29.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -170.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.75 44.16 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.238 1.415 . . . . 0.0 110.384 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 6.5 p90 -63.57 156.73 69.82 Favored Pre-proline 0 CA--C 1.545 0.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.938 174.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.03 145.9 76.54 Favored 'Cis proline' 0 C--N 1.349 0.57 0 CA-C-N 119.649 0.91 . . . . 0.0 111.666 -4.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -147.71 167.14 25.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.272 1.029 . . . . 0.0 109.381 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -94.16 145.16 24.89 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.26 -0.9 . . . . 0.0 108.941 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.59 171.0 31.77 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 119.753 1.161 . . . . 0.0 111.544 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -101.07 124.52 46.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.54 102.67 10.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -86.85 64.52 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.495 1.918 . . . . 0.0 106.317 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -62.65 134.98 57.13 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -173.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -56.36 141.01 43.51 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 119.404 1.002 . . . . 0.0 108.457 169.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.6 m -54.22 159.05 2.04 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.072 0.949 . . . . 0.0 111.941 175.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -55.81 -29.33 59.58 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.211 1.404 . . . . 0.0 113.483 -171.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -139.88 -49.24 0.47 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.705 0.684 . . . . 0.0 110.566 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 p -65.04 167.58 7.71 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.392 1.077 . . . . 0.0 111.71 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m -81.66 2.74 28.2 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.41 1.084 . . . . 0.0 112.633 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 p -72.81 -173.61 1.25 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.415 1.486 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 mm -129.43 139.67 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -171.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -113.51 149.79 33.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 104.44 -2.43 . . . . 0.0 104.44 169.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.2 126.8 41.7 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.229 -0.919 . . . . 0.0 109.224 -169.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -137.35 130.34 30.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 m -81.27 128.51 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.8 154.53 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 122.257 1.027 . . . . 0.0 110.587 -171.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.19 126.03 44.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 168.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.8 t -96.4 111.75 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -38.52 59.78 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.137 0.575 . . . . 0.0 110.216 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.07 178.24 38.18 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.0 mtp -64.4 151.29 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.32 0.581 . . . . 0.0 110.109 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 165.43 8.2 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.241 1.017 . . . . 0.0 109.897 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -62.83 163.97 20.32 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.838 1.692 . . . . 0.0 111.604 174.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.18 -28.33 64.67 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.976 0.91 . . . . 0.0 112.166 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.33 -31.2 71.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.436 0.694 . . . . 0.0 111.888 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -86.89 -43.65 12.27 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.0 m -71.85 2.65 5.16 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.04 -20.09 53.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.237 1.415 . . . . 0.0 110.837 169.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -106.87 -41.82 5.1 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.553 0.741 . . . . 0.0 110.02 -169.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -165.4 166.41 18.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.166 1.386 . . . . 0.0 107.544 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -79.47 125.92 30.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 119.905 1.23 . . . . 0.0 108.514 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -134.83 158.42 44.25 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.431 1.093 . . . . 0.0 109.485 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.99 140.98 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.989 1.315 . . . . 0.0 108.005 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -80.15 131.53 35.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.95 151.27 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.72 0.808 . . . . 0.0 109.324 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.67 126.85 48.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.28 120.38 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt -80.76 -24.85 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.349 0.66 . . . . 0.0 109.263 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.29 -34.36 89.7 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.935 0.779 . . . . 0.0 113.185 -171.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.48 -44.52 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 CA-C-O 118.753 -1.026 . . . . 0.0 113.606 -174.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -67.51 -51.55 49.64 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.019 1.409 . . . . 0.0 110.816 -172.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.1 t70 58.18 -21.38 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 129.476 3.11 . . . . 0.0 117.108 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -140.72 18.09 2.34 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.803 1.241 . . . . 0.0 112.002 -169.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -140.24 156.89 46.31 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.344 1.058 . . . . 0.0 108.518 171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.5 t -132.28 147.12 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.335 1.054 . . . . 0.0 109.045 -168.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -142.04 -161.11 1.18 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.924 1.69 . . . . 0.0 108.986 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -129.14 143.62 50.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.242 0.928 . . . . 0.0 109.721 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.19 156.92 45.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.985 1.714 . . . . 0.0 108.807 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -72.1 137.75 47.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 169.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.22 -29.32 68.66 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 m -61.96 -15.89 47.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.833 1.653 . . . . 0.0 113.362 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.89 12.34 16.85 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.469 1.108 . . . . 0.0 109.088 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.91 146.35 18.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.507 -1.371 . . . . 0.0 108.97 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -133.66 113.61 12.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 170.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.24 152.47 44.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.417 0.627 . . . . 0.0 110.26 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -119.49 132.36 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.62 39.46 9.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.022 1.729 . . . . 0.0 113.176 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.428 HG21 HG21 ' A' ' 109' ' ' THR . 3.7 p -95.86 173.22 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.668 0.787 . . . . 0.0 110.37 -175.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.34 158.83 25.43 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 122.142 0.972 . . . . 0.0 110.552 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.15 -41.95 97.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.761 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -74.81 -27.8 60.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.368 0.531 . . . . 0.0 110.71 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.428 HG21 HG21 ' A' ' 105' ' ' VAL . 31.2 m -69.55 -47.69 62.81 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 173.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -44.73 96.3 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.74 -43.06 98.41 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.137 0.575 . . . . 0.0 111.517 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.38 99.49 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.868 0.758 . . . . 0.0 111.227 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -66.08 -50.25 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.78 74.86 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.045 0.538 . . . . 0.0 110.379 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 8.0 t70 -65.43 -36.97 85.54 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -67.14 -36.15 81.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.928 -0.483 . . . . 0.0 110.778 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.19 -31.48 71.91 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.273 -0.892 . . . . 0.0 110.992 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 12.6 m-30 -61.73 -51.04 69.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.536 1.062 . . . . 0.0 109.253 171.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -57.96 -41.25 82.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.23 1.012 . . . . 0.0 111.555 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.07 -51.36 69.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.396 1.078 . . . . 0.0 110.4 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.2 72.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.915 0.486 . . . . 0.0 111.866 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -77.87 0.13 25.18 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.823 1.249 . . . . 0.0 112.656 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.58 32.26 64.66 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-O 118.608 -1.106 . . . . 0.0 113.087 170.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 62.9 158.89 0.07 Allowed 'General case' 0 C--N 1.344 0.362 0 C-N-CA 128.342 2.657 . . . . 0.0 115.0 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -145.68 10.8 1.24 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.612 0.765 . . . . 0.0 112.478 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 117.304 -1.332 . . . . 0.0 109.403 172.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.89 39.13 0.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.146 1.379 . . . . 0.0 112.173 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -69.19 13.91 0.1 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.112 1.765 . . . . 0.0 114.341 -172.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.7 t -63.12 -25.96 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.222 1.009 . . . . 0.0 109.351 170.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -146.7 -67.92 0.27 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.984 0.811 . . . . 0.0 112.597 169.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -119.73 16.15 12.72 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.516 1.053 . . . . 0.0 113.313 -169.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.0 t0 42.13 -118.18 0.43 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.343 1.857 . . . . 0.0 111.942 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.31 -22.31 63.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -169.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -60.15 -42.36 94.74 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.559 0.618 . . . . 0.0 110.295 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -81.42 -45.36 16.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.188 -175.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.28 -33.98 77.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.445 1.021 . . . . 0.0 111.932 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.47 -49.52 75.08 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 119.51 1.05 . . . . 0.0 109.764 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -59.44 -43.47 93.12 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.667 0.667 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.04 -54.69 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.21 -42.46 98.63 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.526 -173.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -100.58 -13.39 18.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.244 0.929 . . . . 0.0 113.209 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 -19.96 5.76 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.109 0.868 . . . . 0.0 112.698 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -116.47 -48.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.658 1.117 . . . . 0.0 110.283 -170.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 pt -115.73 11.83 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.064 0.847 . . . . 0.0 112.46 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.96 -35.34 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.363 1.065 . . . . 0.0 112.616 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.52 -8.34 47.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.113 0.965 . . . . 0.0 112.022 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 176.93 9.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.659 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -144.98 -44.44 0.23 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.929 0.892 . . . . 0.0 110.737 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -139.74 172.72 12.38 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.604 1.162 . . . . 0.0 109.075 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -37.63 26.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -169.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -69.79 -42.66 73.45 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -70.22 -35.79 74.11 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.333 0.653 . . . . 0.0 110.087 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -68.14 -41.64 81.36 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.698 -0.626 . . . . 0.0 109.328 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.72 91.13 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.774 0.43 . . . . 0.0 110.533 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -39.78 95.37 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.753 0.706 . . . . 0.0 111.73 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.59 62.67 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 119.195 0.907 . . . . 0.0 111.118 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -57.52 -49.02 77.68 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.969 0.507 . . . . 0.0 111.173 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.78 -47.31 86.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.647 0.779 . . . . 0.0 110.554 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -65.28 -43.46 91.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.583 0.629 . . . . 0.0 110.34 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.23 -45.75 86.81 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.008 0.367 . . . . 0.0 110.365 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.67 -44.27 82.27 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.781 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.5 -34.35 72.48 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.879 0.763 . . . . 0.0 111.898 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.4 -22.86 50.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.169 0.588 . . . . 0.0 112.56 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -100.23 -45.28 5.67 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.022 0.529 . . . . 0.0 112.168 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.17 125.9 27.84 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.869 0.867 . . . . 0.0 108.698 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -83.23 47.19 1.21 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.202 1.401 . . . . 0.0 110.232 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 29.7 p90 -64.65 159.0 64.94 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 121.287 -0.883 . . . . 0.0 110.644 175.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.46 144.78 64.53 Favored 'Cis proline' 0 C--N 1.349 0.59 0 CA-C-N 119.789 0.96 . . . . 0.0 110.721 -8.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.11 164.35 32.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -93.01 145.54 24.29 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.474 -0.766 . . . . 0.0 109.075 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.85 170.95 33.16 Favored Glycine 0 C--N 1.333 0.364 0 O-C-N 121.481 -0.762 . . . . 0.0 111.907 174.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -99.7 124.08 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -85.59 106.09 16.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.246 -2.502 . . . . 0.0 104.246 169.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -83.99 63.71 7.75 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -65.89 134.63 53.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -173.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -77.32 90.57 3.77 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 169.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -150.79 5.36 0.5 Allowed 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -62.88 160.95 13.62 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.257 0.935 . . . . 0.0 109.111 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -53.92 -35.57 61.83 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.485 0.584 . . . . 0.0 111.782 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.02 5.2 5.46 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.469 1.908 . . . . 0.0 113.808 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.2 m 56.09 49.06 16.33 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.455 1.502 . . . . 0.0 110.541 -170.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 p -128.25 179.2 5.75 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.504 1.522 . . . . 0.0 109.057 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.93 140.93 18.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 122.304 1.049 . . . . 0.0 108.345 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.87 141.43 48.41 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.112 2.565 . . . . 0.0 104.38 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -110.82 99.9 8.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -168.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -92.87 138.05 31.83 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 m -97.57 125.18 42.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -139.21 157.63 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 122.215 1.007 . . . . 0.0 110.611 -169.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -105.54 122.36 45.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.75 135.75 24.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -93.7 -25.21 17.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.937 0.495 . . . . 0.0 110.503 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.63 176.74 32.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 -178.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.7 mmm -61.46 148.57 41.42 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.07 166.89 11.08 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.21 0.604 . . . . 0.0 110.501 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.17 155.41 9.13 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.049 2.5 . . . . 0.0 112.834 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.01 -32.44 67.93 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.251 0.62 . . . . 0.0 111.613 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.6 -27.46 66.93 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.104 0.562 . . . . 0.0 112.054 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.05 -40.78 26.99 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 171.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.0 m -78.22 8.21 5.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.687 0.795 . . . . 0.0 112.834 -172.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -21.95 59.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.629 1.971 . . . . 0.0 111.168 -176.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -124.85 -27.54 3.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.391 0.677 . . . . 0.0 112.72 -172.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -160.41 162.18 33.21 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.93 130.17 35.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.474 1.034 . . . . 0.0 108.973 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -137.12 158.38 44.57 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.895 0.878 . . . . 0.0 110.331 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.22 141.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 125.701 1.6 . . . . 0.0 107.596 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.41 135.03 37.33 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.0 m -141.07 149.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.84 129.08 49.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.34 138.69 57.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.0 mt -105.07 -48.48 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.57 1.148 . . . . 0.0 108.855 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.9 -27.31 71.05 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 123.89 0.757 . . . . 0.0 113.285 -169.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.19 54.06 0.52 Allowed Glycine 0 CA--C 1.522 0.501 0 C-N-CA 126.789 2.137 . . . . 0.0 108.304 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -53.22 154.56 3.11 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.927 0.891 . . . . 0.0 111.946 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -132.76 21.52 4.22 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.889 1.276 . . . . 0.0 110.159 173.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 50.55 36.77 14.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.044 1.738 . . . . 0.0 111.824 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -139.02 164.11 30.62 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.721 1.609 . . . . 0.0 110.36 -172.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.0 p -129.33 155.4 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 126.067 1.747 . . . . 0.0 109.731 -169.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -142.02 -177.6 5.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.205 2.202 . . . . 0.0 108.346 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 m -129.84 136.89 50.09 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.52 48.06 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.256 1.423 . . . . 0.0 108.181 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -71.52 135.72 47.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 170.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.96 -28.52 67.72 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 169.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -61.55 -11.66 12.05 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.986 2.115 . . . . 0.0 113.815 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.7 16.81 4.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.573 1.149 . . . . 0.0 110.06 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.26 146.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -132.6 105.06 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.62 150.05 49.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 110.332 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.2 mt -118.75 132.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.45 39.49 9.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.028 1.731 . . . . 0.0 113.124 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.436 HG21 HG21 ' A' ' 109' ' ' THR . 2.7 p -96.43 171.41 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.626 0.77 . . . . 0.0 110.434 -174.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.13 159.11 26.9 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.055 0.931 . . . . 0.0 110.648 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.83 -41.07 95.05 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.379 1.071 . . . . 0.0 110.822 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -74.18 -28.98 61.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.365 0.529 . . . . 0.0 110.7 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.436 HG21 HG21 ' A' ' 105' ' ' VAL . 32.7 m -69.63 -47.45 63.39 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.23 -44.53 97.12 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.81 -44.33 94.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.34 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.04 99.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.251 0.932 . . . . 0.0 111.5 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.94 -50.47 74.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.69 82.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.194 0.598 . . . . 0.0 109.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.576 1.151 . . . . 0.0 111.364 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -66.3 -43.0 87.5 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.718 0.407 . . . . 0.0 110.654 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.07 -35.56 80.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.696 0.68 . . . . 0.0 111.277 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.93 -39.15 83.55 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 119.189 0.904 . . . . 0.0 110.864 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -63.01 -43.66 98.15 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.58 -49.83 69.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 109.966 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.47 -25.79 65.16 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.209 1.004 . . . . 0.0 112.982 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -67.35 -18.79 65.29 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 111.926 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.62 37.51 5.26 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -173.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -51.57 161.85 0.45 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.673 1.589 . . . . 0.0 113.451 173.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -139.0 -1.69 1.75 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.416 1.087 . . . . 0.0 111.846 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.496 1.919 . . . . 0.0 107.405 174.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.07 77.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.898 0.479 . . . . 0.0 111.541 -178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m 52.66 27.17 4.96 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.643 1.577 . . . . 0.0 114.006 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -76.77 -24.62 15.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.407 1.083 . . . . 0.0 112.012 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.66 146.08 54.87 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.355 0.525 . . . . 0.0 110.33 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -45.28 90.36 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.991 -0.443 . . . . 0.0 109.932 169.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -174.41 173.52 2.96 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 128.552 2.741 . . . . 0.0 105.093 -173.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.88 -3.37 1.14 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.828 1.251 . . . . 0.0 113.936 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -41.22 76.21 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.557 1.143 . . . . 0.0 110.677 172.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -67.16 -40.83 86.71 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.664 -0.648 . . . . 0.0 109.968 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.1 -38.89 92.7 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -62.77 -47.96 81.24 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.566 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -60.86 -44.35 97.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.646 1.112 . . . . 0.0 110.733 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.6 mt -52.75 -57.81 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.28 -36.84 82.39 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -98.66 -10.99 22.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -169.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.0 -18.84 0.5 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 mt -91.13 -47.5 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 120.987 1.721 . . . . 0.0 109.876 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.43 14.25 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.838 0.855 . . . . 0.0 112.165 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.87 -35.08 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.235 1.014 . . . . 0.0 112.739 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.98 -8.36 54.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.972 0.909 . . . . 0.0 112.152 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 173.85 11.15 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.292 0.637 . . . . 0.0 111.92 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.33 -45.53 0.15 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.091 0.956 . . . . 0.0 110.061 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -138.89 173.31 11.7 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.3 1.44 . . . . 0.0 108.82 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -44.72 -45.13 9.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.209 2.204 . . . . 0.0 115.009 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.6 -41.37 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -68.4 -33.66 74.63 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.217 0.607 . . . . 0.0 110.332 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.75 -44.51 77.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.56 93.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.243 0.474 . . . . 0.0 110.624 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.1 mmt -64.75 -36.41 84.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.331 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.46 -52.68 51.39 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -56.37 -48.2 77.32 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.57 0.348 . . . . 0.0 111.443 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -60.76 -48.98 79.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.922 0.489 . . . . 0.0 110.755 -176.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -66.97 -39.69 87.26 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.504 0.593 . . . . 0.0 110.585 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.57 -47.39 81.73 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.265 0.484 . . . . 0.0 110.312 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.96 -42.76 94.32 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 123.156 0.582 . . . . 0.0 109.635 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.6 -33.44 72.75 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.718 0.69 . . . . 0.0 111.71 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -80.44 -22.08 41.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.155 0.582 . . . . 0.0 112.448 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -100.91 -45.46 5.43 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.0 127.41 32.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.632 0.773 . . . . 0.0 109.354 -169.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.15 43.43 0.87 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.383 1.473 . . . . 0.0 110.378 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -63.44 158.0 60.99 Favored Pre-proline 0 CA--C 1.547 0.828 0 O-C-N 121.042 -1.036 . . . . 0.0 110.264 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -65.75 144.93 66.4 Favored 'Cis proline' 0 C--N 1.348 0.53 0 CA-C-N 119.845 0.98 . . . . 0.0 110.887 -7.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -146.98 161.38 40.91 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -84.67 147.05 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.02 169.63 33.13 Favored Glycine 0 N--CA 1.45 -0.383 0 O-C-N 121.41 -0.806 . . . . 0.0 111.652 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -97.44 128.92 44.63 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 169.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -89.08 106.85 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -80.83 76.12 7.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 169.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -80.63 151.19 29.14 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -60.89 148.91 37.94 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -53.29 149.23 7.55 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.967 1.307 . . . . 0.0 110.311 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.54 -24.98 66.45 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.06 0.944 . . . . 0.0 111.524 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -124.51 -12.62 7.21 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.2 p -141.4 175.4 9.69 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 119.632 1.105 . . . . 0.0 110.071 -170.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m -79.68 -9.49 59.65 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.981 0.912 . . . . 0.0 112.589 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.6 p -72.24 166.53 22.24 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.118 1.367 . . . . 0.0 110.892 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 mm -84.1 152.65 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 123.948 0.899 . . . . 0.0 108.726 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -136.45 105.98 6.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -76.29 134.56 39.73 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.258 0.623 . . . . 0.0 109.965 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -126.79 154.31 44.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.4 m -104.71 125.75 51.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.32 160.36 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.843 0.83 . . . . 0.0 110.323 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -108.89 120.04 41.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -79.66 136.96 22.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.08 -25.47 15.88 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.748 0.419 . . . . 0.0 111.033 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.74 171.9 28.43 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 108.743 -1.743 . . . . 0.0 108.743 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.2 mtp -66.09 152.43 44.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.87 164.22 18.18 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 123.409 0.684 . . . . 0.0 110.072 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -64.31 160.85 36.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.077 1.851 . . . . 0.0 111.589 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -26.77 49.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.906 1.282 . . . . 0.0 113.288 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.5 -31.37 72.51 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.759 0.824 . . . . 0.0 111.747 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -82.41 -46.99 12.8 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.2 m -69.84 12.12 0.23 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -169.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.95 -7.52 57.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.611 1.564 . . . . 0.0 111.398 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -118.89 -34.26 3.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.115 0.966 . . . . 0.0 112.733 -169.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -163.5 174.31 12.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 128.023 2.529 . . . . 0.0 104.25 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.4 mmt -88.74 138.41 31.45 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 169.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -139.37 158.31 44.37 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.986 -174.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 m -142.38 142.49 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.579 1.551 . . . . 0.0 108.18 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -80.09 135.85 36.42 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.14 148.61 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 123.218 0.607 . . . . 0.0 109.914 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.47 132.06 55.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -85.21 90.36 7.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -169.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt -49.99 112.02 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.274 1.43 . . . . 0.0 108.953 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.69 -24.9 3.56 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.795 1.188 . . . . 0.0 113.222 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.83 -36.75 31.7 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-N 118.462 1.131 . . . . 0.0 110.972 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -134.6 -37.8 0.83 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.676 1.19 . . . . 0.0 110.118 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.1 t70 61.02 -20.38 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 128.911 2.884 . . . . 0.0 116.455 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -139.84 22.33 2.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.444 1.498 . . . . 0.0 110.984 -171.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -143.18 162.45 35.56 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.993 1.717 . . . . 0.0 108.486 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.63 151.67 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.316 1.047 . . . . 0.0 110.793 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -133.68 -177.42 4.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.608 2.363 . . . . 0.0 108.271 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -127.58 139.72 52.58 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.18 157.99 40.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 107.532 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -76.51 142.87 40.75 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.985 -1.858 . . . . 0.0 105.985 169.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.0 -30.01 70.04 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 168.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -58.37 -18.65 29.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.827 2.051 . . . . 0.0 113.733 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.95 6.26 19.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.262 1.425 . . . . 0.0 110.344 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.5 mm -112.36 146.17 17.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.779 -1.201 . . . . 0.0 108.661 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -130.54 102.58 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 150.39 48.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 0.0 110.653 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -122.32 133.17 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 49.93 41.84 23.47 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.837 1.655 . . . . 0.0 113.468 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.71 174.25 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.488 0.715 . . . . 0.0 110.817 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.17 163.35 26.54 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.74 0.781 . . . . 0.0 110.3 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.4 -37.96 82.45 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.965 1.306 . . . . 0.0 110.839 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -72.24 -32.67 66.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.031 0.832 . . . . 0.0 111.0 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.7 m -69.77 -48.65 58.46 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -64.57 -33.98 77.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.197 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.44 -48.06 76.75 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 123.953 0.901 . . . . 0.0 110.539 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.17 86.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.522 0.601 . . . . 0.0 110.765 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.62 -52.54 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.79 89.17 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.352 0.524 . . . . 0.0 110.31 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.51 -39.22 90.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.329 1.052 . . . . 0.0 110.793 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -65.05 -44.43 89.05 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.028 0.531 . . . . 0.0 110.502 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.5 -31.85 73.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.29 -35.8 63.74 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.814 1.188 . . . . 0.0 111.344 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -63.63 -41.63 98.23 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.417 -0.802 . . . . 0.0 110.159 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.34 -52.85 62.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.195 0.998 . . . . 0.0 110.47 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.47 59.16 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.33 1.052 . . . . 0.0 112.516 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -5.16 11.27 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 171.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.07 35.2 57.77 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 107.936 -2.066 . . . . 0.0 107.936 -168.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 52.71 163.71 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 129.636 3.174 . . . . 0.0 115.691 -169.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -127.5 1.48 6.24 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.204 172.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 C--O 1.251 1.142 0 C-N-CA 124.694 1.198 . . . . 0.0 110.498 171.42 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttm . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.0 170.94 5.99 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.274 0.63 . . . . 0.0 111.522 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -124.92 35.99 4.68 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.61 1.564 . . . . 0.0 109.041 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.1 p -68.01 -14.81 18.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 126.676 1.99 . . . . 0.0 112.691 -172.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.89 138.07 30.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.36 1.064 . . . . 0.0 111.796 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.97 -44.96 94.12 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.001 0.52 . . . . 0.0 109.635 169.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -171.41 164.88 7.05 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 127.855 2.462 . . . . 0.0 106.026 -173.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -54.91 -18.08 4.49 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.769 0.828 . . . . 0.0 113.095 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.8 m -46.94 -40.03 13.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.162 1.385 . . . . 0.0 110.941 169.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.1 -51.75 68.27 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.944 0.793 . . . . 0.0 109.694 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.01 -43.15 99.31 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 123.262 0.625 . . . . 0.0 110.173 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' CD2' HH21 ' A' ' 13' ' ' ARG . 8.4 t60 -60.79 -47.56 85.77 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.655 0.782 . . . . 0.0 110.958 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.415 HH21 ' CD2' ' A' ' 12' ' ' HIS . 1.7 mmp_? -66.76 -42.75 85.61 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.778 178.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -56.4 -54.85 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 119.538 1.063 . . . . 0.0 108.502 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.16 -38.38 88.82 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.092 0.957 . . . . 0.0 112.17 -172.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.1 p -105.64 -3.72 21.91 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -135.85 -19.5 1.56 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.015 0.825 . . . . 0.0 112.985 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt -117.09 -49.91 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.347 0.976 . . . . 0.0 109.566 -172.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -116.27 13.84 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.617 0.767 . . . . 0.0 111.917 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.2 -35.63 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.532 1.133 . . . . 0.0 112.532 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.17 -14.71 46.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.215 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.58 168.45 15.35 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.89 0.876 . . . . 0.0 111.584 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -147.86 -37.79 0.19 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.921 0.888 . . . . 0.0 109.978 169.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -114.11 170.17 8.48 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.455 1.025 . . . . 0.0 110.099 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -55.88 -42.08 75.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.569 1.147 . . . . 0.0 112.008 -169.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.6 -41.42 79.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.594 0.757 . . . . 0.0 110.389 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -62.27 -45.43 93.3 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.94 93.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -62.41 -37.67 86.71 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 118.648 -0.692 . . . . 0.0 112.212 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.42 67.89 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.356 0.98 . . . . 0.0 110.75 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -57.33 -46.4 83.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.731 0.413 . . . . 0.0 111.013 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -61.99 -48.28 81.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.88 0.872 . . . . 0.0 111.079 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -63.41 -42.78 98.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.558 0.617 . . . . 0.0 110.071 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.44 -46.58 82.54 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.658 0.208 . . . . 0.0 110.572 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.57 -43.77 84.07 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.927 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.63 -33.6 71.73 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.647 0.658 . . . . 0.0 111.946 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.92 -22.65 45.5 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -100.64 -45.48 5.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.5 mt -67.69 127.39 32.6 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.54 46.45 1.3 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 110.24 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 24.5 p90 -64.86 160.76 52.36 Favored Pre-proline 0 CA--C 1.546 0.805 0 O-C-N 121.245 -0.909 . . . . 0.0 111.003 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.57 142.02 24.18 Favored 'Cis proline' 0 C--N 1.35 0.643 0 CA-C-N 119.903 1.001 . . . . 0.0 111.52 -10.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -144.45 160.58 40.84 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 118.318 0.508 . . . . 0.0 109.827 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ttt -88.93 145.53 25.47 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.535 -0.728 . . . . 0.0 109.089 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.4 171.23 33.5 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 121.567 -0.708 . . . . 0.0 111.351 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -99.81 122.51 42.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.08 108.29 14.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 102.463 -3.162 . . . . 0.0 102.463 168.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -90.07 64.33 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -57.93 131.89 51.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.492 -169.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -56.09 126.28 25.29 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.1 t -61.86 148.86 41.99 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.382 0.61 . . . . 0.0 110.654 -171.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -45.67 107.42 0.1 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.493 1.517 . . . . 0.0 109.948 174.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttt 44.19 32.74 0.71 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.589 1.956 . . . . 0.0 113.602 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -144.48 147.99 33.98 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 m -72.66 -7.86 52.47 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.348 1.059 . . . . 0.0 113.703 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 p -72.11 175.49 5.94 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.142 1.377 . . . . 0.0 110.375 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mp -114.09 128.73 70.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.79 98.27 11.51 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.68 131.34 45.41 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 121.416 -0.802 . . . . 0.0 108.979 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -137.05 135.82 37.87 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -93.64 126.29 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 m -139.17 156.32 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 122.131 0.967 . . . . 0.0 110.882 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -105.53 117.45 34.04 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -78.27 138.8 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.88 -24.12 14.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.041 0.536 . . . . 0.0 110.997 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.456 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.05 173.38 30.64 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 91.7 mmm -62.31 147.71 47.33 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 169.16 9.23 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.519 0.728 . . . . 0.0 110.373 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -52.49 155.46 9.91 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.078 2.519 . . . . 0.0 113.282 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.99 -29.13 65.01 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.808 0.843 . . . . 0.0 111.858 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.24 -29.88 70.71 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.266 0.626 . . . . 0.0 111.651 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -79.92 -47.04 15.68 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 171.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.2 m -71.52 13.48 0.25 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.35 -9.77 57.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.468 1.507 . . . . 0.0 111.797 170.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.75 -38.03 3.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.802 0.841 . . . . 0.0 112.164 -169.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -155.64 175.22 14.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -87.45 134.3 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -134.35 156.37 48.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 109.775 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.76 141.03 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 125.594 1.558 . . . . 0.0 107.692 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.87 135.68 37.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 169.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.41 150.61 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 123.347 0.659 . . . . 0.0 109.694 -175.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.05 140.38 51.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -71.96 127.61 33.11 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.791 0.436 . . . . 0.0 110.79 -176.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.9 mt -84.69 -23.47 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 0.0 109.352 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.63 -43.31 91.29 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.148 0.88 . . . . 0.0 112.561 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.22 -25.29 0.05 OUTLIER Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.05 -0.861 . . . . 0.0 114.476 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -82.49 36.61 0.48 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.444 1.622 . . . . 0.0 111.176 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.6 -22.15 63.44 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.128 1.371 . . . . 0.0 111.94 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.86 -11.42 27.32 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.448 1.499 . . . . 0.0 113.095 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -134.89 163.56 29.55 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.718 1.207 . . . . 0.0 110.107 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.0 t -137.52 152.5 27.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.133 1.373 . . . . 0.0 107.493 -170.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -138.62 179.72 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.491 1.916 . . . . 0.0 108.778 -169.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.8 m -129.35 138.58 51.62 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.88 154.44 49.2 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.331 1.452 . . . . 0.0 107.556 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -72.43 143.04 48.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.93 -29.49 69.65 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 168.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 m -60.88 -13.49 16.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.57 1.948 . . . . 0.0 113.734 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.43 6.0 18.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.23 1.412 . . . . 0.0 110.497 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.54 151.29 20.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.665 1.586 . . . . 0.0 108.776 -169.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -133.2 111.43 10.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.76 50.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.068 0.461 . . . . 0.0 110.012 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.8 mt -118.42 132.41 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.02 39.65 8.12 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.044 1.737 . . . . 0.0 112.994 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 109' ' ' THR . 2.7 p -93.28 170.82 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.606 0.762 . . . . 0.0 110.492 -172.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -66.15 159.33 26.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 122.19 0.995 . . . . 0.0 110.554 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.672 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.05 -29.44 61.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 0.513 . . . . 0.0 110.632 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.462 HG21 HG21 ' A' ' 105' ' ' VAL . 33.1 m -67.43 -49.74 62.41 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 173.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.79 -35.02 79.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.97 -0.538 . . . . 0.0 111.243 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.49 -43.09 86.32 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.811 0.732 . . . . 0.0 110.897 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.49 96.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.925 0.784 . . . . 0.0 110.961 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mt -62.97 -50.49 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.4 91.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.505 0.593 . . . . 0.0 110.368 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.33 -38.74 92.09 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.197 0.599 . . . . 0.0 111.888 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.88 -40.52 95.24 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.443 0.297 . . . . 0.0 110.554 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.0 mt -66.76 -35.39 79.98 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.892 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.94 -46.84 89.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.462 1.028 . . . . 0.0 109.629 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -61.91 -42.98 99.71 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.026 -0.421 . . . . 0.0 111.211 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.02 -46.51 88.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.402 0.681 . . . . 0.0 109.91 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.48 -16.55 63.48 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.746 0.818 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -61.91 -36.39 81.17 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 118.726 0.694 . . . . 0.0 112.282 -171.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 130.74 -4.92 5.8 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.055 -0.859 . . . . 0.0 111.463 -169.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 59.91 -148.61 0.45 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.14 1.376 . . . . 0.0 114.01 169.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 44.2 mttp 69.2 19.44 7.89 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 127.871 2.469 . . . . 0.0 113.204 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 . . . . . 0 C--O 1.25 1.097 0 C-N-CA 126.888 2.075 . . . . 0.0 111.485 178.942 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.4 -28.59 65.34 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.553 0.741 . . . . 0.0 112.998 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m 56.82 27.29 12.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.725 1.21 . . . . 0.0 113.265 172.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.56 106.45 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.246 1.019 . . . . 0.0 108.532 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.89 -23.57 64.21 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.386 0.674 . . . . 0.0 112.248 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -76.53 6.79 5.25 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.294 1.038 . . . . 0.0 112.116 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -51.21 -45.55 61.91 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.227 0.921 . . . . 0.0 112.673 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -68.51 -41.8 79.47 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 121.922 -0.486 . . . . 0.0 111.231 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 m -55.37 -40.44 71.3 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.618 1.167 . . . . 0.0 109.717 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -81.99 -44.54 16.54 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 117.571 -1.204 . . . . 0.0 110.725 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.94 -42.41 72.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.513 1.051 . . . . 0.0 110.212 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -61.75 2.29 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.419 174.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -62.43 -39.25 92.71 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.739 0.7 . . . . 0.0 111.604 -169.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.88 -53.05 52.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.01 -41.18 96.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.61 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.9 p -94.88 -6.94 41.53 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -139.24 -19.57 0.97 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.3 mt -117.49 -44.1 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 119.565 1.075 . . . . 0.0 109.817 -170.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 pt -118.28 14.28 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.594 0.758 . . . . 0.0 111.747 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.32 -35.2 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.431 1.092 . . . . 0.0 112.187 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -89.06 -10.47 47.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.932 0.893 . . . . 0.0 112.08 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 171.67 14.86 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.715 0.806 . . . . 0.0 111.664 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -138.79 -41.88 0.48 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.089 0.955 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -141.74 172.46 12.66 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 109.303 -175.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -38.67 20.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -169.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.18 -44.19 69.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -68.11 -34.79 77.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.018 0.527 . . . . 0.0 110.176 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -68.89 -42.17 77.29 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.56 93.56 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.102 0.41 . . . . 0.0 110.151 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -63.63 -38.21 90.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.968 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.25 -50.87 61.18 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 119.182 0.901 . . . . 0.0 111.013 175.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -57.55 -49.28 76.89 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.01 0.405 . . . . 0.0 111.167 174.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -60.04 -47.43 85.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.752 0.821 . . . . 0.0 110.9 -174.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.81 -43.96 87.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.305 0.502 . . . . 0.0 110.139 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -63.29 -45.1 92.98 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.663 0.385 . . . . 0.0 110.47 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.73 -46.07 76.65 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.855 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.05 -33.68 72.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.017 0.826 . . . . 0.0 112.027 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -75.98 -25.58 55.94 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.141 0.577 . . . . 0.0 112.379 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.1 m -96.83 -46.84 6.09 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.197 0.453 . . . . 0.0 111.636 -170.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.12 121.92 16.25 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -83.93 63.36 7.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.965 0.906 . . . . 0.0 109.971 -174.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -61.54 157.29 47.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.026 0.93 . . . . 0.0 112.36 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.89 151.54 95.83 Favored 'Cis proline' 0 C--N 1.349 0.559 0 N-CA-C 108.893 -1.234 . . . . 0.0 108.893 -10.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -141.43 158.35 43.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.433 0.561 . . . . 0.0 110.78 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.24 144.37 26.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.54 169.22 32.82 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -96.93 126.38 42.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.79 103.01 12.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 104.211 -2.514 . . . . 0.0 104.211 169.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -96.05 65.97 2.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.11 132.08 50.68 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.744 -173.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.1 141.82 33.09 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 169.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 t -52.93 149.33 6.55 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.169 0.985 . . . . 0.0 110.528 176.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -64.47 -17.52 63.92 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.051 0.94 . . . . 0.0 112.022 174.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -133.65 -17.7 2.22 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -169.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -143.64 176.48 9.18 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.567 1.076 . . . . 0.0 110.625 -169.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 p -74.36 -1.16 19.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.506 1.522 . . . . 0.0 113.157 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.8 p -72.23 -178.78 2.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.452 1.501 . . . . 0.0 110.869 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mm -129.25 136.54 59.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -171.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.16 151.24 27.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 169.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -128.54 137.07 51.56 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.356 -0.84 . . . . 0.0 111.411 -169.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -136.11 142.78 44.31 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 168.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -95.51 126.61 40.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.34 156.37 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 122.26 1.029 . . . . 0.0 111.622 -169.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -105.73 117.84 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 169.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -82.88 142.03 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.45 -22.04 13.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.241 0.616 . . . . 0.0 111.602 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.65 175.64 31.88 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -63.5 153.1 36.61 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 169.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.67 169.36 6.55 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 122.948 0.499 . . . . 0.0 109.823 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.56 154.3 9.22 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.715 2.277 . . . . 0.0 112.592 170.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.52 -29.08 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.672 0.789 . . . . 0.0 111.999 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.84 -32.14 73.3 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.602 0.761 . . . . 0.0 111.906 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.43 -43.98 16.62 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 173.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.2 m -72.95 7.47 2.03 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.74 -12.35 51.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.569 1.548 . . . . 0.0 111.602 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -115.95 -38.84 3.56 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.573 0.749 . . . . 0.0 111.474 -169.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -159.76 172.77 17.09 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -82.47 136.33 34.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 121.064 1.756 . . . . 0.0 108.45 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -140.2 156.87 46.33 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.064 0.946 . . . . 0.0 109.75 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.8 m -140.2 142.76 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 125.503 1.521 . . . . 0.0 108.17 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.91 135.75 37.08 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.88 151.06 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.201 0.601 . . . . 0.0 110.057 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.92 139.79 52.8 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.52 127.51 32.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 122.883 0.473 . . . . 0.0 110.823 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.6 mt -84.44 -24.0 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 123.436 0.695 . . . . 0.0 109.38 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.24 -43.27 89.26 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.201 0.905 . . . . 0.0 112.529 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.34 -24.45 0.05 OUTLIER Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.14 -0.811 . . . . 0.0 114.374 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -82.79 36.01 0.48 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.459 1.63 . . . . 0.0 111.169 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.42 -21.75 62.61 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.325 1.45 . . . . 0.0 112.058 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.03 -12.02 23.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.404 1.481 . . . . 0.0 113.141 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -135.51 164.3 28.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.714 1.206 . . . . 0.0 110.123 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.9 t -136.24 151.84 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.272 1.429 . . . . 0.0 107.207 -171.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -137.89 179.82 6.2 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 126.438 1.895 . . . . 0.0 109.008 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 m -129.08 136.3 50.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 171.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.75 149.91 49.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 107.683 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -68.32 137.23 54.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 169.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.92 -27.97 68.59 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 169.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -60.88 -13.57 16.57 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.362 2.265 . . . . 0.0 113.243 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.38 11.89 8.72 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.578 1.551 . . . . 0.0 109.168 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.3 147.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 O-C-N 120.779 -1.2 . . . . 0.0 107.942 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -136.29 116.18 13.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.25 152.46 45.02 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.453 0.644 . . . . 0.0 110.259 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.48 131.49 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.35 37.92 9.53 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.292 1.837 . . . . 0.0 113.483 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.46 HG21 HG21 ' A' ' 109' ' ' THR . 1.6 p -94.21 169.72 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 121.748 -0.595 . . . . 0.0 110.882 -174.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.37 159.19 35.0 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 111.117 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.35 -37.35 72.44 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.799 0.84 . . . . 0.0 113.117 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.05 -39.16 56.15 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.373 0.988 . . . . 0.0 110.417 -174.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.46 HG21 HG21 ' A' ' 105' ' ' VAL . 28.5 m -60.38 -46.87 88.43 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.669 0.788 . . . . 0.0 109.412 170.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.0 -45.1 95.09 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.93 -41.08 97.53 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 118.97 0.804 . . . . 0.0 111.561 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.42 97.51 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.857 0.753 . . . . 0.0 111.383 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.21 -49.86 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.75 80.21 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.453 0.701 . . . . 0.0 109.841 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.34 -43.7 96.2 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.996 0.919 . . . . 0.0 112.08 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.77 -0.581 . . . . 0.0 110.165 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.63 -33.95 73.36 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.634 0.652 . . . . 0.0 111.449 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.92 -46.79 87.78 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 119.326 0.966 . . . . 0.0 109.792 173.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -63.86 -41.89 97.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.717 0.807 . . . . 0.0 109.253 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.19 -51.22 68.83 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.523 0.729 . . . . 0.0 109.58 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -25.66 68.07 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.971 1.308 . . . . 0.0 112.669 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 -72.63 -5.58 38.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.793 0.837 . . . . 0.0 113.135 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.88 39.21 17.55 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -50.51 164.45 0.13 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.346 1.858 . . . . 0.0 114.516 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -127.32 -14.43 5.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.961 1.304 . . . . 0.0 112.115 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.628 1.571 . . . . 0.0 108.421 -175.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttm . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.51 146.9 26.22 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.271 1.029 . . . . 0.0 108.388 172.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -75.65 17.79 0.28 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.044 1.338 . . . . 0.0 113.003 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.43 -22.96 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 126.086 1.754 . . . . 0.0 111.628 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.55 149.07 18.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.008 1.323 . . . . 0.0 111.609 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -60.93 -44.64 96.94 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -173.3 165.68 4.79 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 127.607 2.363 . . . . 0.0 106.212 -171.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.21 -18.12 5.47 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.015 0.926 . . . . 0.0 112.939 173.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.1 m -47.18 -38.1 11.29 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.122 1.369 . . . . 0.0 110.879 168.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -64.36 -50.01 69.42 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.21 0.914 . . . . 0.0 110.498 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.65 -42.43 88.33 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.306 0.642 . . . . 0.0 109.58 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -64.94 -47.79 76.4 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.066 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -60.89 -41.4 95.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.432 1.015 . . . . 0.0 110.541 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt -56.1 -60.11 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.67 -34.93 78.95 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -170.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.6 p -107.55 2.24 23.93 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.17 -46.96 0.26 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.766 0.712 . . . . 0.0 112.566 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt -78.41 -45.98 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.46 1.027 . . . . 0.0 110.143 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.8 pt -122.41 14.01 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 112.011 -175.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.1 -34.99 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 O-C-N 121.439 -0.788 . . . . 0.0 112.172 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.31 -13.75 58.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.237 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.94 175.25 10.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.846 0.859 . . . . 0.0 111.817 -175.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -149.0 -47.24 0.14 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.229 1.011 . . . . 0.0 109.295 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -123.62 173.07 8.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.327 1.051 . . . . 0.0 109.442 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -52.11 -44.11 64.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.713 1.205 . . . . 0.0 113.348 -168.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.13 -39.31 82.74 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -70.26 -35.49 73.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.308 0.643 . . . . 0.0 110.327 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -66.46 -42.79 87.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.131 0.878 . . . . 0.0 109.57 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.77 94.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.589 0.355 . . . . 0.0 110.786 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.9 mmt -65.92 -35.7 81.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.753 -0.642 . . . . 0.0 112.326 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.95 59.95 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -57.7 -48.53 79.3 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 118.875 -0.584 . . . . 0.0 111.488 172.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.43 -53.56 56.77 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.843 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -72.51 -32.9 66.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.873 -0.584 . . . . 0.0 111.117 -174.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.03 -46.93 86.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.001 0.819 . . . . 0.0 110.092 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.39 -43.17 82.01 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.72 -32.85 70.91 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.831 0.741 . . . . 0.0 111.957 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.08 -22.08 39.48 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.7 m -100.36 -46.04 5.38 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.815 -0.553 . . . . 0.0 112.098 -169.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.36 123.18 20.52 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -170.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.56 51.57 2.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.607 0.763 . . . . 0.0 109.966 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -62.79 156.93 62.87 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 121.816 -0.552 . . . . 0.0 111.204 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -68.1 145.16 74.88 Favored 'Cis proline' 0 CA--C 1.536 0.583 0 CA-C-N 119.356 0.806 . . . . 0.0 111.473 -5.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -146.91 160.53 42.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.348 1.059 . . . . 0.0 108.969 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.44 143.64 26.86 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.143 -0.973 . . . . 0.0 109.411 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.97 167.9 31.76 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 119.407 1.003 . . . . 0.0 111.348 171.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -96.1 127.35 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.99 102.09 12.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -89.78 66.23 7.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -63.56 132.18 50.41 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -173.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -59.75 139.78 57.01 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 119.853 1.206 . . . . 0.0 109.092 169.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.4 m -59.47 161.43 5.82 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 122.165 0.983 . . . . 0.0 112.299 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -56.6 -32.74 65.56 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.201 1.4 . . . . 0.0 113.465 -169.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -145.04 -45.51 0.23 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.599 0.76 . . . . 0.0 110.133 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -58.25 153.84 14.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.689 1.196 . . . . 0.0 110.199 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -70.73 -5.78 32.49 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 p -72.32 -170.84 0.68 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.301 2.241 . . . . 0.0 112.524 -171.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.9 mm -125.89 140.89 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.698 1.599 . . . . 0.0 107.306 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -112.24 153.06 27.7 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 169.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -128.24 127.04 42.09 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.24 -0.912 . . . . 0.0 109.598 -172.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -131.46 147.84 52.59 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -99.66 131.69 45.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.8 m -142.36 156.9 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 122.276 1.036 . . . . 0.0 110.911 -169.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.79 114.09 27.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 t -76.22 124.5 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.32 -31.99 12.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.208 0.603 . . . . 0.0 111.994 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.33 171.79 33.77 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.9 mmm -64.37 145.97 55.2 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.73 167.41 16.53 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.58 142.57 23.75 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.565 2.177 . . . . 0.0 112.739 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -59.33 -27.95 66.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.531 0.732 . . . . 0.0 111.438 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -62.05 -24.78 67.29 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -91.42 -24.09 19.83 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.889 -0.507 . . . . 0.0 110.776 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -83.63 24.81 0.83 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.963 0.905 . . . . 0.0 113.403 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -16.17 53.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.851 0.861 . . . . 0.0 112.969 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -130.16 -26.87 2.31 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -169.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.7 140.44 32.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 171.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -134.64 153.15 52.11 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.271 0.628 . . . . 0.0 109.513 -177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.36 141.86 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.671 1.188 . . . . 0.0 108.543 -174.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.99 140.2 38.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 171.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.9 m -142.62 151.45 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 122.996 0.518 . . . . 0.0 110.17 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.5 139.68 53.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.04 140.41 52.82 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.858 0.463 . . . . 0.0 111.861 -175.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 mt -117.39 55.8 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.48 . . . . 0.0 108.856 172.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -139.8 -42.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.393 0.997 . . . . 0.0 111.106 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.88 8.04 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.467 -1.185 . . . . 0.0 115.652 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -121.14 27.3 8.48 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.597 1.698 . . . . 0.0 110.495 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.97 -24.14 36.61 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.537 1.535 . . . . 0.0 112.538 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.05 -12.34 25.76 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.3 1.44 . . . . 0.0 113.217 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -135.5 166.31 23.49 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.823 1.249 . . . . 0.0 110.292 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 66.5 t -134.02 149.91 30.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 125.583 1.553 . . . . 0.0 107.538 -171.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -135.92 179.14 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.407 1.883 . . . . 0.0 108.47 -172.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.42 137.12 50.72 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.96 155.06 43.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.18 1.392 . . . . 0.0 107.937 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.61 142.79 42.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.33 -28.65 69.36 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -57.9 -16.53 12.32 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.989 1.716 . . . . 0.0 114.286 171.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -119.65 10.94 11.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.031 1.332 . . . . 0.0 109.671 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -114.96 149.08 17.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 120.533 -1.354 . . . . 0.0 108.382 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 156.02 39.62 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.657 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -122.66 131.05 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.8 37.11 9.17 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.101 1.76 . . . . 0.0 113.541 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.492 HG21 HG21 ' A' ' 109' ' ' THR . 3.1 p -93.96 173.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.383 0.673 . . . . 0.0 110.641 -176.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.7 159.95 26.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 122.14 0.972 . . . . 0.0 110.565 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.44 -39.46 90.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.934 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -74.9 -34.34 62.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.505 0.593 . . . . 0.0 110.806 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.492 HG21 HG21 ' A' ' 105' ' ' VAL . 65.2 m -64.85 -48.72 73.31 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -65.97 -36.01 82.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.49 -176.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.83 -42.59 94.84 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 119.004 0.82 . . . . 0.0 111.18 176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.49 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.202 0.455 . . . . 0.0 110.607 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.53 -51.06 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.31 -49.91 74.61 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.157 0.583 . . . . 0.0 110.129 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.28 -31.44 72.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -68.27 -43.94 76.68 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.813 -0.555 . . . . 0.0 110.4 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.86 -36.61 84.9 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.371 -0.83 . . . . 0.0 110.168 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -66.3 -36.0 81.81 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.438 -0.789 . . . . 0.0 110.39 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -67.43 -41.76 84.28 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.351 -1.468 . . . . 0.0 110.098 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.99 -50.4 72.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.182 0.993 . . . . 0.0 109.802 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.74 68.53 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -73.53 -17.62 61.19 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.62 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.26 34.93 15.9 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-O 118.573 -1.126 . . . . 0.0 111.509 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 60.06 179.26 0.09 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.978 2.111 . . . . 0.0 114.357 169.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -130.6 6.64 4.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.555 1.542 . . . . 0.0 110.427 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 C--O 1.248 0.999 0 C-N-CA 124.77 1.228 . . . . 0.0 108.839 169.257 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 tpp . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 119.092 -0.48 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.08 56.42 4.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.594 1.958 . . . . 0.0 113.505 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -75.37 24.98 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.623 1.569 . . . . 0.0 112.809 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -65.79 -19.39 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 126.065 1.746 . . . . 0.0 113.6 -175.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -62.99 148.02 48.87 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.655 1.116 . . . . 0.0 110.619 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -65.59 -43.2 90.45 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -165.22 165.56 19.55 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.189 2.196 . . . . 0.0 106.04 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.1 -24.45 58.71 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.847 1.203 . . . . 0.0 112.258 172.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 m -55.24 -34.64 64.18 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.482 -0.761 . . . . 0.0 111.39 170.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -64.82 -45.22 87.11 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.71 1.141 . . . . 0.0 109.414 176.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.77 -39.71 89.81 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.659 0.383 . . . . 0.0 110.657 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -65.24 -38.82 91.57 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.071 0.396 . . . . 0.0 111.137 175.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.12 -39.12 82.83 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.85 -1.156 . . . . 0.0 111.14 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.34 -52.59 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 171.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.05 -32.31 69.64 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.02 1.328 . . . . 0.0 112.313 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -105.93 7.43 32.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 112.751 -172.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.83 -50.22 0.4 Allowed 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.897 0.771 . . . . 0.0 111.893 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 mt -80.92 -46.66 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.0 pt -120.4 12.28 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 123.338 0.655 . . . . 0.0 112.354 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.94 -34.16 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 123.866 0.866 . . . . 0.0 112.117 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -88.83 -9.29 52.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.957 0.903 . . . . 0.0 112.127 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.69 172.34 13.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.385 0.674 . . . . 0.0 111.722 -175.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -152.58 -40.3 0.1 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.339 1.055 . . . . 0.0 110.186 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.35 173.01 11.72 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.95 1.3 . . . . 0.0 108.653 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.96 -39.52 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 125.863 1.665 . . . . 0.0 113.368 -172.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 -42.02 85.54 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -69.45 -35.27 75.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.969 -0.457 . . . . 0.0 110.352 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -67.14 -41.91 85.3 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.013 0.824 . . . . 0.0 109.971 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.51 97.79 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.461 0.573 . . . . 0.0 110.209 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -64.2 -38.65 91.81 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.686 -0.674 . . . . 0.0 112.296 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.83 62.0 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.234 0.924 . . . . 0.0 110.816 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.24 -47.35 85.69 Favored 'General case' 0 C--O 1.231 0.114 0 O-C-N 122.652 -0.322 . . . . 0.0 111.476 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.76 -48.96 79.6 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.524 0.73 . . . . 0.0 110.848 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.39 -41.9 93.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.18 0.445 . . . . 0.0 110.182 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.63 -46.6 84.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.026 0.375 . . . . 0.0 110.588 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.21 -44.72 87.38 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.01 0.524 . . . . 0.0 109.877 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.67 -33.3 71.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.413 0.551 . . . . 0.0 111.968 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.18 -22.35 45.09 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -100.44 -46.87 5.09 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.956 0.502 . . . . 0.0 112.336 -169.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.66 131.18 45.1 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -78.2 24.09 0.26 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.424 ' HA ' ' C ' ' A' ' 43' ' ' PRO . 23.6 p90 -52.44 155.73 3.49 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.28 1.032 . . . . 0.0 113.434 -169.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 42' ' ' PHE . 50.5 Cg_exo -56.53 141.85 17.82 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.562 0.879 . . . . 0.0 113.158 -9.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.57 153.73 42.11 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.3 ttt -84.79 145.44 27.88 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.6 -0.688 . . . . 0.0 109.367 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.77 172.88 34.47 Favored Glycine 0 N--CA 1.45 -0.419 0 O-C-N 121.463 -0.773 . . . . 0.0 112.04 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -102.48 124.51 48.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 169.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -81.48 106.69 13.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 169.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -93.14 64.34 3.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -52.97 110.53 0.54 Allowed 'General case' 0 N--CA 1.46 0.073 0 C-N-CA 123.984 0.914 . . . . 0.0 109.018 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -84.79 -17.34 38.46 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.722 0.809 . . . . 0.0 110.955 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.0 m -77.35 -2.08 33.21 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -176.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -64.85 137.02 57.51 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.991 1.268 . . . . 0.0 107.595 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt 45.44 38.24 3.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.254 1.022 . . . . 0.0 111.064 -169.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.3 m 66.58 -36.01 0.25 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.815 2.446 . . . . 0.0 114.388 -175.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 m -149.93 33.84 0.67 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.452 1.478 . . . . 0.0 114.205 -169.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 77.4 p -128.36 142.45 51.12 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.867 1.212 . . . . 0.0 109.952 176.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -71.37 139.85 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -136.5 139.78 42.54 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -112.16 132.02 55.13 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.731 0.413 . . . . 0.0 109.966 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.8 120.24 14.94 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -75.97 131.77 39.79 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.0 156.99 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 122.323 1.058 . . . . 0.0 111.023 -171.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -101.97 115.67 31.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.401 -2.815 . . . . 0.0 103.401 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -75.54 134.67 28.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 169.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -99.59 -19.38 16.88 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.35 0.66 . . . . 0.0 111.225 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.27 175.55 35.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -64.29 149.91 47.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.53 164.57 14.86 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.779 0.832 . . . . 0.0 110.764 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.92 151.87 68.48 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.132 1.888 . . . . 0.0 110.999 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.5 -28.29 59.45 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -169.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.18 -35.82 80.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.89 0.768 . . . . 0.0 111.241 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.78 -38.91 57.87 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.64 5.59 1.81 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.6 mt -91.57 -9.16 45.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.346 1.458 . . . . 0.0 111.322 169.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -115.37 -40.6 3.4 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.931 0.893 . . . . 0.0 111.133 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -158.69 173.52 16.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.703 2.401 . . . . 0.0 104.562 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.2 mmt -83.04 136.51 34.47 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 169.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.26 156.24 47.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.688 0.795 . . . . 0.0 109.768 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.7 142.21 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.406 1.482 . . . . 0.0 107.793 -176.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.6 135.19 38.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.99 148.04 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 123.262 0.625 . . . . 0.0 110.389 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.6 132.64 54.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.052 1.341 . . . . 0.0 107.807 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -81.36 89.55 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.44 1.096 . . . . 0.0 110.547 -172.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.9 mt -48.08 128.22 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 125.592 1.557 . . . . 0.0 109.795 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.8 12.13 64.12 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 118.767 -1.018 . . . . 0.0 114.459 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.32 -93.09 0.87 Allowed Glycine 0 C--N 1.336 0.569 0 N-CA-C 107.992 -2.043 . . . . 0.0 107.992 175.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -63.2 -42.51 99.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.796 0.798 . . . . 0.0 109.312 170.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t70 56.97 -16.98 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 130.448 3.499 . . . . 0.0 117.925 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -140.94 19.24 2.3 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.623 1.569 . . . . 0.0 110.746 -171.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -141.35 162.83 34.53 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.295 1.438 . . . . 0.0 108.326 173.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 p -132.72 151.74 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.466 1.106 . . . . 0.0 110.263 -169.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -138.58 -173.14 3.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.736 2.415 . . . . 0.0 107.751 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 m -129.45 139.29 51.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.24 152.34 48.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.596 1.558 . . . . 0.0 108.053 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.61 135.82 48.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.03 -28.11 69.36 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.2 m -63.31 -9.45 11.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.183 1.793 . . . . 0.0 113.469 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.17 11.69 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.429 1.492 . . . . 0.0 109.416 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -113.09 147.71 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 120.643 -1.286 . . . . 0.0 108.856 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -129.88 112.5 13.62 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.23 50.7 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.9 mt -115.83 132.26 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.35 39.96 9.88 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.019 1.727 . . . . 0.0 113.079 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG21 HG21 ' A' ' 109' ' ' THR . 1.2 p -95.47 165.51 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.56 0.744 . . . . 0.0 110.383 -173.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.66 159.21 25.4 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 122.529 1.157 . . . . 0.0 110.929 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.9 -43.28 81.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.185 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -76.36 -30.97 57.79 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.682 0.674 . . . . 0.0 110.78 -174.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.415 HG21 HG21 ' A' ' 105' ' ' VAL . 90.8 m -66.45 -48.94 68.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -63.72 -39.19 93.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.051 -0.5 . . . . 0.0 111.039 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.36 -42.85 92.36 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 118.585 -0.722 . . . . 0.0 110.835 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.93 96.78 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.28 0.946 . . . . 0.0 111.249 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.77 -53.01 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.79 82.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.395 0.278 . . . . 0.0 110.725 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.97 -38.22 87.99 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.738 0.815 . . . . 0.0 112.038 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -63.42 -42.58 98.72 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.494 0.318 . . . . 0.0 110.193 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.11 -30.24 70.71 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.056 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -65.08 -47.71 76.29 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 120.037 1.29 . . . . 0.0 110.049 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -60.16 -40.02 88.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.227 0.611 . . . . 0.0 110.868 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.53 -51.5 67.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.565 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -25.53 67.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.755 0.822 . . . . 0.0 112.014 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -14.53 58.01 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.018 0.927 . . . . 0.0 113.227 174.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.95 34.05 53.64 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -169.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 56.63 169.95 0.03 OUTLIER 'General case' 0 C--N 1.345 0.404 0 C-N-CA 129.037 2.935 . . . . 0.0 116.685 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.4 3.52 3.62 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.428 168.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 C--O 1.252 1.202 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 169.674 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 mtt . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.01 133.25 55.93 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.366 0.667 . . . . 0.0 109.725 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -85.81 31.25 0.62 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.232 1.413 . . . . 0.0 111.247 -176.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -61.88 -29.05 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.006 1.722 . . . . 0.0 113.653 -172.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -64.03 152.89 39.02 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.809 0.844 . . . . 0.0 111.461 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -61.15 -49.04 78.86 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 169.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -164.66 175.51 9.7 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 128.076 2.55 . . . . 0.0 104.711 170.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.48 -7.44 0.92 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.24 1.016 . . . . 0.0 113.544 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -41.27 62.22 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.78 1.232 . . . . 0.0 110.877 170.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.449 HH21 ' HB2' ' A' ' 115' ' ' ASP . 24.4 mtp85 -67.91 -45.73 73.54 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.58 -38.27 90.49 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.281 0.491 . . . . 0.0 110.484 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -59.8 -47.04 87.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.312 0.645 . . . . 0.0 110.305 174.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -74.6 -29.37 61.28 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.6 1.091 . . . . 0.0 112.887 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt -58.32 -52.19 62.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 169.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.48 -41.88 92.84 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.199 0.6 . . . . 0.0 111.999 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 p -90.83 2.49 56.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -145.15 -64.21 0.34 Allowed 'General case' 0 C--N 1.338 0.094 0 CA-C-N 118.67 0.668 . . . . 0.0 111.617 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.03 -41.3 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.37 0.532 . . . . 0.0 111.749 -169.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 pt -124.48 15.31 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 118.893 0.769 . . . . 0.0 112.426 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.59 -34.47 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.548 -0.72 . . . . 0.0 112.42 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -87.0 -11.88 49.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.04 0.936 . . . . 0.0 112.155 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.1 171.75 14.54 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.827 0.851 . . . . 0.0 111.7 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -140.35 -46.0 0.42 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.57 172.53 12.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.596 1.159 . . . . 0.0 109.387 -173.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -48.91 -41.28 33.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.322 1.449 . . . . 0.0 114.489 -169.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.39 -43.6 73.18 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.98 -35.75 77.08 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.003 0.521 . . . . 0.0 110.115 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -69.57 -42.32 74.68 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 121.639 -0.663 . . . . 0.0 109.663 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.53 91.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.152 0.433 . . . . 0.0 110.326 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -66.99 -36.55 82.42 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.598 0.636 . . . . 0.0 112.184 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.52 -53.08 47.81 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 173.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -54.42 -48.7 71.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.006 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.08 -53.71 55.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.065 0.546 . . . . 0.0 111.199 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -74.62 -32.6 62.37 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 112.044 -169.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -68.77 -40.22 79.83 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 119.503 1.047 . . . . 0.0 110.65 173.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.3 -42.14 96.52 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.274 175.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.46 -33.33 71.16 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.858 0.754 . . . . 0.0 111.791 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.74 -21.83 44.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.287 0.635 . . . . 0.0 112.686 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.4 m -100.84 -45.97 5.28 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.298 0.639 . . . . 0.0 112.627 -169.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.07 127.19 32.23 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -169.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -83.54 44.1 0.95 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.189 1.395 . . . . 0.0 110.467 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -63.21 156.39 69.1 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.09 -1.006 . . . . 0.0 110.245 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.81 142.93 58.25 Favored 'Cis proline' 0 C--N 1.348 0.535 0 CA-C-N 119.805 0.966 . . . . 0.0 111.03 -6.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -145.66 164.89 30.35 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.8 ttt -92.69 146.05 23.95 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.399 -0.813 . . . . 0.0 109.01 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.38 172.28 34.16 Favored Glycine 0 C--N 1.333 0.366 0 O-C-N 121.416 -0.802 . . . . 0.0 112.148 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -99.6 124.79 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -82.84 103.49 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -86.91 61.79 7.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.319 1.848 . . . . 0.0 107.044 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -55.67 114.27 1.8 Allowed 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.83 1.252 . . . . 0.0 109.585 -173.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -84.77 51.81 2.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.986 0.914 . . . . 0.0 110.804 -174.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -140.42 19.94 2.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.76 0.824 . . . . 0.0 112.708 -171.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -57.46 -40.58 78.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.204 0.911 . . . . 0.0 112.19 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -132.69 -50.58 0.91 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.069 0.948 . . . . 0.0 109.29 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.4 p -143.28 -60.6 0.42 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.481 0.713 . . . . 0.0 109.107 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -145.34 36.13 1.09 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.817 1.647 . . . . 0.0 108.796 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 p -117.72 144.36 45.35 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.86 1.664 . . . . 0.0 109.389 -169.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.9 mm -79.63 143.31 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 -170.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -137.46 150.35 47.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -122.34 129.45 52.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.657 0.662 . . . . 0.0 110.001 -169.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -129.86 144.36 51.27 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 169.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.1 m -90.61 126.29 35.91 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 m -137.44 159.6 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.836 0.827 . . . . 0.0 109.619 -169.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.56 120.25 41.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -81.16 137.67 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.81 -23.69 16.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.841 0.457 . . . . 0.0 110.988 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.5 169.99 24.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.762 -1.735 . . . . 0.0 108.762 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.8 mtp -65.83 149.42 50.21 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 169.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.43 167.01 14.13 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 123.417 0.687 . . . . 0.0 109.875 171.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.44 146.78 31.65 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.785 2.323 . . . . 0.0 112.522 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -58.95 -27.1 65.01 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.623 0.769 . . . . 0.0 111.917 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.0 -23.14 63.41 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 0.0 113.216 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.3 -5.38 12.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.707 0.803 . . . . 0.0 112.002 177.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -92.62 24.4 3.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.365 0.666 . . . . 0.0 112.097 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 mt -83.6 -3.73 57.96 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.063 0.945 . . . . 0.0 112.346 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -132.33 -24.27 2.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.968 0.907 . . . . 0.0 112.695 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -162.18 149.39 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -174.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.02 146.63 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.318 0.963 . . . . 0.0 109.191 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -138.36 158.41 44.33 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.712 0.805 . . . . 0.0 110.603 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.19 141.9 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.902 1.681 . . . . 0.0 107.929 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.64 136.83 36.92 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 169.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.75 150.36 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.179 0.591 . . . . 0.0 109.524 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.08 130.44 55.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -86.21 90.6 8.2 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.267 0.627 . . . . 0.0 110.597 -169.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.7 mt -58.99 -36.18 60.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.228 1.011 . . . . 0.0 108.926 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.53 17.17 11.1 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.137 1.351 . . . . 0.0 113.129 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.93 -132.78 2.45 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 126.041 1.781 . . . . 0.0 108.791 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -60.58 -30.48 69.83 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.36 -174.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 t70 50.27 27.22 2.56 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.056 1.743 . . . . 0.0 112.811 -172.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -153.34 15.15 0.52 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.762 1.625 . . . . 0.0 110.647 -172.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -150.21 159.98 44.03 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 125.71 1.604 . . . . 0.0 107.963 -175.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.7 p -131.23 151.78 36.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 124.35 1.06 . . . . 0.0 110.396 -169.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -142.02 179.84 6.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 127.219 2.208 . . . . 0.0 107.477 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 m -129.68 139.62 51.33 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.32 152.11 50.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.423 1.489 . . . . 0.0 107.439 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 142.82 45.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 169.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.63 -29.26 66.39 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 170.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.0 m -60.24 -14.09 15.99 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.716 1.606 . . . . 0.0 113.96 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -116.99 12.47 14.61 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.682 1.193 . . . . 0.0 109.764 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.95 144.74 20.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 O-C-N 120.403 -1.436 . . . . 0.0 108.721 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -131.37 109.94 10.7 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 172.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.28 149.76 49.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.241 0.543 . . . . 0.0 110.206 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.7 mt -118.43 132.75 67.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.73 39.27 9.97 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.024 1.729 . . . . 0.0 113.236 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -95.59 171.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.605 0.762 . . . . 0.0 110.221 -175.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 158.9 27.12 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 122.438 1.113 . . . . 0.0 110.968 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.43 -42.32 87.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.338 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.11 -27.77 54.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.469 0.577 . . . . 0.0 110.705 -175.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.438 HG21 HG21 ' A' ' 105' ' ' VAL . 39.2 m -68.64 -47.06 67.55 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 172.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -46.45 88.6 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.32 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.86 98.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.859 0.754 . . . . 0.0 111.414 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.44 -49.07 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.44 83.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.448 0.567 . . . . 0.0 110.127 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.449 ' HB2' HH21 ' A' ' 10' ' ' ARG . 21.9 t70 -59.64 -41.56 90.79 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.886 0.875 . . . . 0.0 111.751 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -69.2 -42.74 75.39 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.994 0.518 . . . . 0.0 110.57 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.41 -30.86 71.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.974 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.22 -50.64 67.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 119.474 1.034 . . . . 0.0 109.639 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -58.22 -39.1 78.18 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.09 0.859 . . . . 0.0 111.151 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.44 -55.56 32.02 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.253 -0.904 . . . . 0.0 110.198 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.2 66.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.832 0.853 . . . . 0.0 112.481 -177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 -69.82 -13.36 62.23 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.32 1.048 . . . . 0.0 110.924 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.66 36.89 31.93 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -170.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 56.15 -172.85 0.07 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.996 2.118 . . . . 0.0 112.258 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -127.81 -36.07 2.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.909 169.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.8 p90 . . . . . 0 C--O 1.251 1.149 0 CA-C-N 119.918 1.235 . . . . 0.0 109.617 169.713 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 tpp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.28 167.34 27.27 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.116 1.367 . . . . 0.0 108.61 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -123.43 17.3 9.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.801 1.641 . . . . 0.0 111.162 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.75 139.54 17.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 169.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -138.32 10.21 2.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.242 0.617 . . . . 0.0 112.586 -169.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.68 81.09 1.6 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -133.85 18.77 3.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.196 1.398 . . . . 0.0 110.351 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.82 -28.14 65.75 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -169.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -56.32 -49.66 73.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.729 1.212 . . . . 0.0 110.153 172.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -80.02 -34.6 38.25 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.839 -176.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -59.3 -39.46 83.07 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.88 1.218 . . . . 0.0 110.265 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -63.44 -47.69 80.87 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.292 0.496 . . . . 0.0 110.708 174.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -56.66 -48.37 77.75 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.954 0.797 . . . . 0.0 110.343 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.91 -53.55 36.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.45 -36.43 80.37 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.487 0.715 . . . . 0.0 112.049 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 p -101.96 -12.7 18.0 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -169.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -133.76 -14.22 2.48 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -172.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.03 -47.49 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.822 1.192 . . . . 0.0 109.914 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 pt -116.64 14.41 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.62 0.768 . . . . 0.0 111.701 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.31 -34.98 34.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.278 1.031 . . . . 0.0 112.046 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.76 -10.25 51.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.956 0.902 . . . . 0.0 112.101 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.02 10.71 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.704 0.802 . . . . 0.0 111.525 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -148.46 -43.91 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.104 0.962 . . . . 0.0 109.776 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -129.25 169.72 14.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.751 1.22 . . . . 0.0 108.725 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -51.78 -39.21 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.994 1.718 . . . . 0.0 114.619 -169.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.42 -42.41 83.26 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -69.2 -33.55 73.51 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.149 0.58 . . . . 0.0 110.331 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -68.04 -42.82 79.97 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.58 -0.7 . . . . 0.0 109.355 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.85 95.23 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.588 0.355 . . . . 0.0 110.57 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.8 mmt -64.99 -39.21 93.13 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.594 0.634 . . . . 0.0 112.209 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -49.91 68.94 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -57.95 -49.1 77.94 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.429 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.58 -52.93 63.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.521 0.329 . . . . 0.0 110.743 -174.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.79 -31.04 64.57 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.909 -0.567 . . . . 0.0 111.583 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -63.65 -46.31 86.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.175 0.898 . . . . 0.0 110.238 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.48 -42.95 86.7 Favored 'General case' 0 N--CA 1.458 -0.059 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.669 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.72 -35.23 75.81 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.566 0.621 . . . . 0.0 111.565 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.39 -24.58 57.22 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -98.25 -46.57 5.77 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -169.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -67.26 128.58 36.91 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.801 0.84 . . . . 0.0 110.056 -169.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -78.81 20.8 0.44 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.254 1.422 . . . . 0.0 114.248 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 20.2 p90 -53.49 153.31 7.66 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -169.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.73 147.54 46.24 Favored 'Cis proline' 0 C--N 1.352 0.746 0 CA-C-N 119.445 0.838 . . . . 0.0 113.768 -7.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -149.75 164.01 36.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.524 1.13 . . . . 0.0 109.324 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -90.95 145.97 24.27 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.936 -1.103 . . . . 0.0 109.865 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.22 168.78 33.13 Favored Glycine 0 C--N 1.335 0.526 0 O-C-N 121.097 -1.002 . . . . 0.0 111.472 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -97.62 125.75 42.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.247 -1.761 . . . . 0.0 106.247 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -84.65 103.02 13.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 169.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -84.81 65.93 9.39 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.481 1.512 . . . . 0.0 107.228 171.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -56.11 109.05 0.53 Allowed 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 123.665 0.786 . . . . 0.0 109.375 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -76.0 -28.2 57.71 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.036 1.334 . . . . 0.0 110.012 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -77.66 48.84 0.7 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.928 1.691 . . . . 0.0 111.845 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -137.17 163.91 29.73 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.183 1.393 . . . . 0.0 109.08 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.2 tttm 56.02 -76.57 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.555 2.342 . . . . 0.0 110.829 -169.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 p -142.47 -53.98 0.42 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.871 1.669 . . . . 0.0 107.108 175.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.7 m -161.84 56.61 0.26 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.442 1.897 . . . . 0.0 107.315 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -128.28 143.19 51.0 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -170.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.21 139.31 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.86 151.3 50.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 169.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -121.99 121.85 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.898 -0.501 . . . . 0.0 110.141 -169.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -122.79 142.57 50.59 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -96.49 122.86 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.9 m -136.82 157.23 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 122.228 1.013 . . . . 0.0 111.139 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -103.18 116.81 33.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.22 113.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 171.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.08 -31.93 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.958 0.503 . . . . 0.0 110.786 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 169.56 176.89 39.73 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.146 -1.581 . . . . 0.0 109.146 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mtp -64.63 149.82 48.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 170.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.22 166.96 11.22 Favored Pre-proline 0 CA--C 1.543 0.674 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 147.29 14.53 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.424 2.083 . . . . 0.0 111.98 171.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.29 -30.62 64.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.039 0.536 . . . . 0.0 111.266 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.18 -26.58 68.22 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.054 0.942 . . . . 0.0 112.691 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -79.0 -33.41 44.99 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.8 -0.563 . . . . 0.0 109.921 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.64 28.1 0.49 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.716 1.206 . . . . 0.0 113.511 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.93 -16.51 40.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.111 0.965 . . . . 0.0 113.238 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -132.65 -21.01 2.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -154.71 170.97 20.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.1 mmt -93.52 139.93 30.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.43 156.98 47.61 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.019 0.527 . . . . 0.0 109.816 -175.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.82 140.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.872 1.269 . . . . 0.0 108.487 -173.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.27 133.38 36.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.38 147.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.38 123.49 44.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -75.99 109.35 9.56 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt -67.16 -30.94 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 124.736 1.214 . . . . 0.0 109.911 -173.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.34 -37.02 8.41 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.4 -48.25 25.03 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.204 0.907 . . . . 0.0 112.271 -173.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -145.84 -42.79 0.21 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.374 1.087 . . . . 0.0 112.638 -173.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.8 t70 52.1 22.75 1.99 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.451 1.5 . . . . 0.0 112.301 -169.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -154.83 11.77 0.37 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.688 1.595 . . . . 0.0 111.048 -170.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -147.53 159.74 43.4 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.392 1.477 . . . . 0.0 107.455 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.4 148.35 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.749 0.82 . . . . 0.0 109.073 -169.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.89 -178.08 4.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.971 2.509 . . . . 0.0 107.866 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -127.8 138.89 52.88 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.83 159.47 35.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 108.316 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 140.51 39.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 169.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.83 -28.79 70.1 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 168.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.9 m -61.63 -7.28 3.18 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.124 1.769 . . . . 0.0 113.711 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.21 9.03 10.36 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.016 1.326 . . . . 0.0 109.736 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.84 147.22 17.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 O-C-N 120.532 -1.355 . . . . 0.0 109.283 -173.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.81 107.84 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 153.31 44.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.421 0.629 . . . . 0.0 110.686 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.6 mt -122.43 131.81 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.306 1.442 . . . . 0.0 107.122 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.6 t70 51.11 36.84 16.52 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.832 1.653 . . . . 0.0 113.984 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.8 m -89.17 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 121.565 -0.709 . . . . 0.0 110.389 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.57 164.74 24.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.182 0.991 . . . . 0.0 110.01 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.08 -35.42 73.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.844 1.258 . . . . 0.0 111.145 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.36 -41.97 69.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.214 0.915 . . . . 0.0 111.022 -174.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.9 m -64.04 -47.66 79.34 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -63.0 -37.16 86.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.228 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.92 -41.99 81.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.826 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.9 86.54 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.269 0.941 . . . . 0.0 110.658 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.44 -53.32 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.655 0.782 . . . . 0.0 109.281 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.39 86.13 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.669 0.387 . . . . 0.0 110.55 -175.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.14 -38.43 76.54 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.168 1.387 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -67.83 -42.05 82.05 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.069 0.548 . . . . 0.0 110.9 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.12 -32.38 73.47 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.565 -0.709 . . . . 0.0 111.193 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -67.29 -40.9 86.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.368 0.985 . . . . 0.0 110.179 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -37.51 84.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 120.05 1.295 . . . . 0.0 111.957 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.7 tp -59.73 -47.05 87.22 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.555 0.742 . . . . 0.0 109.339 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 172.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -8.18 53.65 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.104 1.362 . . . . 0.0 111.185 177.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.76 30.73 61.29 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 118.471 -1.183 . . . . 0.0 112.008 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 59.91 171.23 0.08 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.541 2.336 . . . . 0.0 114.807 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -135.3 10.08 3.49 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.604 1.562 . . . . 0.0 110.724 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 124.358 1.063 . . . . 0.0 109.032 169.347 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 tpp . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.9 151.91 46.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 122.049 -0.407 . . . . 0.0 110.058 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -138.62 31.41 2.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.017 1.727 . . . . 0.0 108.325 170.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -73.52 -20.84 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.761 1.624 . . . . 0.0 111.452 -169.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -53.8 127.32 25.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.33 1.452 . . . . 0.0 109.704 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -37.34 85.21 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.796 0.438 . . . . 0.0 110.312 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -172.69 166.87 5.41 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.145 2.178 . . . . 0.0 106.236 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.42 -30.14 59.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.853 0.752 . . . . 0.0 111.095 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 m -59.09 -27.37 65.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.345 1.058 . . . . 0.0 112.364 173.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -75.61 -46.1 33.66 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 120.024 -1.672 . . . . 0.0 109.158 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -58.88 -39.83 82.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.262 0.625 . . . . 0.0 110.635 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.97 -52.18 66.85 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.596 0.759 . . . . 0.0 109.737 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.26 -36.99 85.82 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 119.068 0.849 . . . . 0.0 111.336 -176.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -55.32 -53.63 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.28 -41.13 96.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.932 -175.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.0 p -99.28 -9.58 23.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.514 1.052 . . . . 0.0 113.613 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -126.17 -18.84 4.88 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.549 1.068 . . . . 0.0 113.021 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -114.73 -46.94 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.836 1.198 . . . . 0.0 109.861 -172.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -122.21 15.47 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.308 0.643 . . . . 0.0 112.462 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.06 -36.47 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 124.691 1.196 . . . . 0.0 113.043 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.03 -7.94 47.38 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.716 0.807 . . . . 0.0 111.811 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.06 161.16 29.11 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.652 -0.655 . . . . 0.0 111.813 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.42 -24.27 0.24 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.124 0.97 . . . . 0.0 112.383 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -149.73 175.64 11.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.751 1.22 . . . . 0.0 108.877 -174.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 28' ' ' ARG . 16.7 ptpt -56.02 -38.57 70.69 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.52 1.128 . . . . 0.0 113.385 -172.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.84 -44.36 70.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.37 -37.64 77.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.134 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' HE ' ' HB2' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -69.86 -39.48 76.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.772 1.169 . . . . 0.0 109.549 -178.538 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.37 86.38 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 119.29 -0.386 . . . . 0.0 110.823 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -62.35 -37.13 84.46 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.658 0.663 . . . . 0.0 111.362 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.94 60.11 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 118.996 0.816 . . . . 0.0 111.394 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -56.11 -50.87 69.85 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.433 0.617 . . . . 0.0 109.869 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.59 -49.71 72.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.781 1.232 . . . . 0.0 110.954 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.9 -41.33 95.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.158 0.435 . . . . 0.0 110.118 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -65.08 -45.8 83.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.108 0.413 . . . . 0.0 110.444 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.35 -46.04 81.79 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 122.985 0.514 . . . . 0.0 109.734 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.68 -34.56 73.02 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.131 0.572 . . . . 0.0 111.954 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.41 -24.33 54.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.164 0.585 . . . . 0.0 112.406 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -96.53 -46.35 6.38 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.892 0.477 . . . . 0.0 111.481 -170.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.91 121.52 15.69 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -171.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -84.78 53.43 2.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.725 0.81 . . . . 0.0 109.813 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -64.78 159.82 59.39 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.34 0.656 . . . . 0.0 111.698 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.92 142.26 25.79 Favored 'Cis proline' 0 C--N 1.351 0.704 0 CA-C-N 119.615 0.898 . . . . 0.0 112.348 -10.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -146.43 161.71 39.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.845 0.858 . . . . 0.0 109.305 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.5 ttt -95.44 146.91 24.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.093 -1.005 . . . . 0.0 110.551 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.52 170.35 34.02 Favored Glycine 0 C--N 1.335 0.477 0 O-C-N 121.451 -0.781 . . . . 0.0 111.46 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -99.47 126.66 45.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.93 103.39 11.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.86 62.79 2.69 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.52 112.07 0.93 Allowed 'General case' 0 CA--C 1.524 -0.048 0 C-N-CA 124.455 1.102 . . . . 0.0 109.07 -173.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -86.14 -22.82 26.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 118.859 0.754 . . . . 0.0 111.12 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -71.08 -4.14 23.55 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.9 tpt85 -51.15 -35.92 38.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.875 1.216 . . . . 0.0 112.419 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -147.48 59.81 1.15 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 169.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m 73.64 -50.2 0.69 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.919 2.088 . . . . 0.0 112.54 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 m -141.18 -4.9 1.13 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.4 p -72.39 121.91 20.32 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.683 1.129 . . . . 0.0 109.167 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.18 134.35 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.97 150.94 51.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.91 134.5 52.65 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.691 -0.631 . . . . 0.0 111.161 -168.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -140.91 139.6 34.37 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 169.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -91.97 129.99 37.81 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -142.39 154.67 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 122.418 1.104 . . . . 0.0 111.367 -169.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -98.92 118.61 36.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 168.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.82 115.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.43 -29.34 41.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.157 0.583 . . . . 0.0 110.682 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.17 179.25 39.49 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.2 148.39 48.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.34 164.04 47.16 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 123.209 0.604 . . . . 0.0 110.626 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -51.27 152.82 10.7 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.362 2.708 . . . . 0.0 113.088 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.7 -30.63 56.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.312 1.045 . . . . 0.0 112.686 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.1 -32.25 72.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.485 0.714 . . . . 0.0 112.116 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.06 -41.01 13.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.5 m -70.01 9.03 0.61 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.8 mt -92.54 -14.85 27.75 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.599 1.56 . . . . 0.0 111.209 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -106.43 -42.29 5.06 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 111.096 -168.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -158.12 176.31 12.66 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 128.302 2.641 . . . . 0.0 104.157 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.6 mmt -84.99 135.11 34.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 120.172 1.351 . . . . 0.0 108.384 169.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -137.04 157.25 47.13 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.204 1.002 . . . . 0.0 109.314 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.32 142.17 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 125.403 1.481 . . . . 0.0 107.927 -175.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.56 131.34 35.51 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 169.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -137.72 147.93 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 122.833 0.453 . . . . 0.0 110.025 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.51 138.04 51.14 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.215 1.006 . . . . 0.0 108.7 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.04 121.59 19.44 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.527 0.731 . . . . 0.0 111.685 -173.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.8 mt -86.0 63.54 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.82 -48.23 0.02 OUTLIER Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.216 0.912 . . . . 0.0 110.849 175.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.7 -22.1 0.04 OUTLIER Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.824 0.726 . . . . 0.0 113.619 175.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 28.42 0.87 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.03 1.415 . . . . 0.0 110.262 178.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -56.8 -32.88 66.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.25 1.02 . . . . 0.0 111.266 174.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.37 -12.29 61.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.807 1.243 . . . . 0.0 112.89 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -124.05 62.72 1.08 Allowed 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.288 1.435 . . . . 0.0 109.021 -171.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t -53.08 143.97 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 125.451 1.5 . . . . 0.0 110.095 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -120.41 -179.38 3.95 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.979 2.112 . . . . 0.0 109.399 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.5 m -126.54 133.53 51.09 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.59 154.98 43.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.341 1.457 . . . . 0.0 107.891 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -72.14 134.93 46.02 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.31 -27.71 69.23 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -66.1 -0.25 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.895 2.078 . . . . 0.0 113.442 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.74 10.1 5.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.871 1.668 . . . . 0.0 109.71 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -115.84 149.94 17.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.498 -1.376 . . . . 0.0 108.758 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -137.29 119.65 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.09 148.84 41.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.724 0.41 . . . . 0.0 110.64 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.4 mt -120.76 128.21 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.978 1.311 . . . . 0.0 108.138 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.51 34.24 9.14 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.002 1.721 . . . . 0.0 113.741 171.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.63 174.82 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.44 0.696 . . . . 0.0 111.23 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.86 161.98 22.7 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.516 0.674 . . . . 0.0 109.856 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.28 -39.11 89.22 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.733 1.213 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -72.76 -35.78 67.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.751 0.705 . . . . 0.0 110.438 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -67.71 -45.1 76.07 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -43.8 94.0 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.948 0.794 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.16 -37.82 81.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.288 0.635 . . . . 0.0 111.616 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.9 96.86 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.58 0.627 . . . . 0.0 111.363 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.88 -50.49 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.1 82.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.786 0.434 . . . . 0.0 109.906 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.25 -39.13 91.87 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.205 0.602 . . . . 0.0 111.547 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -66.32 -42.77 87.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.69 -33.9 77.03 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.474 -0.775 . . . . 0.0 110.787 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.65 -49.51 74.89 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 119.495 1.043 . . . . 0.0 109.618 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -63.14 -37.08 85.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.672 0.669 . . . . 0.0 111.177 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.42 -51.35 67.9 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.421 -0.8 . . . . 0.0 109.78 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.0 67.81 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.61 0.764 . . . . 0.0 112.31 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -65.31 -14.12 60.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.714 1.206 . . . . 0.0 110.902 175.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.17 34.55 46.17 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 56.36 -177.98 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.101 2.16 . . . . 0.0 112.95 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -132.43 -4.26 3.37 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 171.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.534 ' HB2' ' HE ' ' A' ' 28' ' ' ARG . 30.6 m-85 . . . . . 0 C--O 1.248 0.987 0 N-CA-C 104.802 -2.295 . . . . 0.0 104.802 176.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.48 146.59 38.41 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 171.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -79.86 25.91 0.34 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.599 1.56 . . . . 0.0 112.136 -174.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.7 -17.88 21.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 C-N-CA 125.983 1.713 . . . . 0.0 112.614 -170.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -65.23 161.12 19.98 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.332 -0.855 . . . . 0.0 112.08 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -64.67 -54.51 30.59 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -164.23 -171.83 2.54 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.519 1.927 . . . . 0.0 106.514 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.41 0.6 2.05 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.042 -1.036 . . . . 0.0 112.369 174.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -53.67 -50.07 66.58 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.923 1.289 . . . . 0.0 109.805 169.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -66.83 -42.25 86.13 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.343 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -56.86 -44.33 82.07 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.212 0.46 . . . . 0.0 110.379 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -62.43 -47.6 83.34 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.174 0.59 . . . . 0.0 109.987 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 -61.48 -44.89 96.28 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.011 0.823 . . . . 0.0 110.718 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.68 -56.25 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.37 -35.84 81.36 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.1 p -106.45 1.22 25.39 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -141.46 -45.17 0.37 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.842 0.746 . . . . 0.0 111.942 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.29 -45.38 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 119.108 0.867 . . . . 0.0 110.071 -170.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -122.37 13.6 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.736 0.814 . . . . 0.0 112.248 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -53.95 -35.19 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.098 0.959 . . . . 0.0 112.714 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.74 -11.79 52.71 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.881 0.872 . . . . 0.0 112.291 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.44 176.84 9.42 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.872 0.869 . . . . 0.0 111.883 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.41 -43.11 0.17 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.065 0.946 . . . . 0.0 110.367 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.94 168.64 18.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.948 1.299 . . . . 0.0 108.284 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -48.54 -38.95 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.562 1.945 . . . . 0.0 114.687 -169.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.64 -42.71 77.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.588 0.631 . . . . 0.0 109.431 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -69.35 -34.61 74.85 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.463 0.705 . . . . 0.0 110.103 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -68.35 -42.43 79.26 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.63 -0.669 . . . . 0.0 109.4 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.55 85.6 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.257 0.48 . . . . 0.0 110.293 172.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.3 mmt -63.77 -38.02 89.52 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.068 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.56 57.16 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.303 0.956 . . . . 0.0 111.027 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -57.34 -47.3 81.94 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.875 0.47 . . . . 0.0 111.113 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.25 -48.2 82.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.683 0.793 . . . . 0.0 110.799 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -66.07 -42.61 89.17 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.727 0.694 . . . . 0.0 110.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.45 -46.86 86.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.669 0.387 . . . . 0.0 110.472 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.2 -44.21 84.59 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-O 118.673 -0.679 . . . . 0.0 109.909 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.65 -33.26 72.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.075 0.852 . . . . 0.0 111.732 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.15 -24.24 51.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.135 0.574 . . . . 0.0 112.153 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.9 m -98.15 -45.5 6.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.985 0.514 . . . . 0.0 111.922 -170.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.93 125.4 26.51 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.072 0.949 . . . . 0.0 108.966 -169.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -83.63 61.16 6.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.092 1.357 . . . . 0.0 110.303 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -64.27 156.74 74.5 Favored Pre-proline 0 CA--C 1.542 0.635 0 O-C-N 121.531 -0.731 . . . . 0.0 112.212 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.54 151.26 96.32 Favored 'Cis proline' 0 C--N 1.348 0.521 0 N-CA-C 108.812 -1.265 . . . . 0.0 108.812 -10.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -141.97 162.05 36.44 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.305 0.502 . . . . 0.0 111.052 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -90.02 144.83 25.56 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.94 32.93 Favored Glycine 0 N--CA 1.447 -0.569 0 O-C-N 121.481 -0.762 . . . . 0.0 111.198 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -98.23 124.33 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -83.76 102.35 12.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -94.99 68.24 3.17 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -51.02 122.03 6.93 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 125.492 1.517 . . . . 0.0 108.902 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.54 171.72 9.85 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.206 1.002 . . . . 0.0 109.677 -176.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m 58.21 38.62 26.24 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.701 1.201 . . . . 0.0 111.883 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -52.97 -43.96 66.78 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.722 0.809 . . . . 0.0 110.866 172.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -149.55 -46.88 0.14 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.099 0.96 . . . . 0.0 110.778 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 m -141.59 59.7 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 -169.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m 59.47 14.12 3.65 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.96 1.304 . . . . 0.0 112.668 -169.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -73.16 173.53 9.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.998 2.119 . . . . 0.0 110.782 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm -120.81 138.95 49.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 124.728 1.211 . . . . 0.0 107.768 -169.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -125.31 152.18 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.13 148.93 50.61 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.962 1.255 . . . . 0.0 112.394 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -139.38 148.66 43.15 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 170.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.7 m -100.55 125.61 46.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.82 158.64 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.249 1.023 . . . . 0.0 112.071 -168.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.8 118.21 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 169.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.92 137.63 20.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -98.32 -22.72 15.96 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.887 0.475 . . . . 0.0 111.43 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.95 174.24 26.41 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 -172.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.6 mtp -65.49 153.45 41.38 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.298 0.57 . . . . 0.0 110.009 169.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.63 169.29 5.33 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.302 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -51.98 155.52 8.47 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.017 2.478 . . . . 0.0 112.962 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.85 -32.67 66.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.591 0.756 . . . . 0.0 111.763 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.48 -26.77 66.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.046 0.538 . . . . 0.0 112.145 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -80.6 -40.4 25.79 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.13 10.07 2.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.876 -172.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -18.6 54.75 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.998 2.119 . . . . 0.0 111.478 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -130.9 -27.53 2.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.623 0.769 . . . . 0.0 113.024 -170.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -154.83 169.44 23.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -86.83 136.86 32.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.395 1.452 . . . . 0.0 108.271 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -138.28 157.73 45.69 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.96 141.99 28.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.301 1.44 . . . . 0.0 108.633 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.88 135.52 35.93 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 170.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.75 148.88 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.236 0.615 . . . . 0.0 109.844 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.71 132.51 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 124.949 1.299 . . . . 0.0 107.637 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.1 115.61 12.64 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.843 0.457 . . . . 0.0 110.553 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -76.69 -27.37 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.61 -35.65 81.82 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.241 0.924 . . . . 0.0 113.416 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.57 -44.7 0.02 OUTLIER Glycine 0 CA--C 1.526 0.719 0 CA-C-O 118.596 -1.113 . . . . 0.0 114.524 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -70.39 -43.52 69.88 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.249 1.525 . . . . 0.0 111.439 -169.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.0 t70 59.57 -19.49 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.918 2.887 . . . . 0.0 116.785 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -140.35 24.02 2.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.422 1.489 . . . . 0.0 110.987 -169.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -136.75 156.92 47.88 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.267 1.427 . . . . 0.0 108.744 174.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.3 t -132.69 146.02 33.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 124.265 1.026 . . . . 0.0 109.099 -169.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -129.01 -178.97 4.85 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.726 2.41 . . . . 0.0 108.492 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 m -125.69 136.56 53.34 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 169.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.56 156.49 39.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.713 1.605 . . . . 0.0 107.981 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 139.54 45.13 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 169.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -28.94 69.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -61.27 -9.62 5.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.871 2.468 . . . . 0.0 113.856 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -122.87 10.07 9.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.551 1.54 . . . . 0.0 109.537 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.81 145.77 18.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 O-C-N 120.762 -1.211 . . . . 0.0 108.313 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -133.48 108.87 8.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.86 150.46 47.76 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.254 0.549 . . . . 0.0 110.343 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.2 mt -119.29 132.93 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.37 41.17 12.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.984 1.714 . . . . 0.0 113.098 174.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.422 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -99.02 171.26 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.663 0.785 . . . . 0.0 110.48 -174.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 159.53 26.5 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 122.049 0.928 . . . . 0.0 110.861 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.495 1.118 . . . . 0.0 110.88 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -73.69 -28.84 61.95 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.538 0.608 . . . . 0.0 110.62 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.422 HG21 HG21 ' A' ' 105' ' ' VAL . 34.5 m -70.9 -47.09 61.06 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -43.61 98.55 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.48 -46.02 89.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.16 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.02 91.0 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.983 0.81 . . . . 0.0 111.473 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.68 -50.78 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 122.921 0.488 . . . . 0.0 109.731 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.14 82.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.608 0.64 . . . . 0.0 110.511 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.492 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 17.3 t70 -64.77 -43.2 94.03 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.717 0.807 . . . . 0.0 111.144 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -63.96 -36.37 83.73 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.09 -0.381 . . . . 0.0 111.189 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 50.4 mt -71.4 -40.46 70.51 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.139 -0.976 . . . . 0.0 111.697 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 1.1 p90 -70.64 -29.84 66.31 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.251 1.387 . . . . 0.0 110.379 173.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -65.15 -35.88 82.49 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.369 -0.832 . . . . 0.0 109.769 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.19 -48.79 77.87 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.629 -0.669 . . . . 0.0 109.585 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.13 -25.1 67.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 112.984 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -22.41 32.64 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.225 1.41 . . . . 0.0 113.964 176.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.31 34.83 25.06 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.48 166.13 0.08 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.422 2.289 . . . . 0.0 114.11 173.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -131.61 -8.93 3.63 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.939 1.296 . . . . 0.0 112.088 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 8.1 p90 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 126.519 1.928 . . . . 0.0 107.581 -176.434 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.23 163.92 14.32 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.187 0.595 . . . . 0.0 111.343 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -122.68 23.02 9.67 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.241 1.816 . . . . 0.0 110.47 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 p -139.87 150.8 21.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 170.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -62.44 172.08 1.69 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.244 1.418 . . . . 0.0 111.371 -176.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -45.53 63.27 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.045 0.938 . . . . 0.0 112.111 -170.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 t70 50.32 -66.82 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.842 2.857 . . . . 0.0 113.311 -169.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 56.84 -27.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 131.484 3.913 . . . . 0.0 116.26 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 p -58.38 -45.91 87.38 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.38 1.072 . . . . 0.0 110.564 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -72.32 -38.68 68.61 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.198 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -59.06 -42.66 90.88 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.612 1.096 . . . . 0.0 109.988 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -62.85 -45.59 91.86 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.862 0.465 . . . . 0.0 110.841 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -64.6 -41.64 96.1 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.586 -0.697 . . . . 0.0 111.468 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.8 mt -55.89 -53.72 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 174.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.88 -41.46 82.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.609 0.764 . . . . 0.0 111.77 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.6 p -93.17 -14.27 27.36 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -171.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -129.94 -13.07 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.11 -39.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 119.579 1.081 . . . . 0.0 109.981 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -126.39 14.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.51 -31.78 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.192 0.997 . . . . 0.0 112.485 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.09 11.27 34.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.582 1.153 . . . . 0.0 111.472 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.49 152.82 51.71 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 124.623 1.169 . . . . 0.0 110.006 -169.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.45 -37.66 0.23 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.642 0.777 . . . . 0.0 111.135 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.06 163.29 24.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -64.86 -34.93 79.54 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.179 -0.95 . . . . 0.0 111.439 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.45 -43.99 79.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -66.04 -45.56 80.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.95 0.5 . . . . 0.0 109.659 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -68.43 -34.65 76.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.15 -176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.76 96.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.841 0.746 . . . . 0.0 110.33 169.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.6 mmt -67.09 -33.73 76.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.674 -0.641 . . . . 0.0 112.474 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.97 -50.29 67.27 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -57.85 -48.36 80.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.183 171.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.01 -54.21 49.46 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.083 0.401 . . . . 0.0 111.406 -173.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -73.87 -29.12 61.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.11 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -63.33 -46.48 86.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.186 0.903 . . . . 0.0 110.139 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.0 -46.51 84.2 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.469 0.708 . . . . 0.0 109.759 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.37 -33.93 71.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.372 0.533 . . . . 0.0 111.978 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.85 -23.01 49.05 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.191 0.596 . . . . 0.0 112.529 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -98.98 -44.98 6.12 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.202 0.601 . . . . 0.0 111.855 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.71 123.59 20.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.403 1.081 . . . . 0.0 109.989 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.08 46.39 1.01 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.423 1.489 . . . . 0.0 110.457 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 26.6 p90 -64.19 157.92 67.39 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.094 -1.004 . . . . 0.0 110.967 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.81 147.88 77.36 Favored 'Cis proline' 0 C--N 1.35 0.611 0 CA-C-N 119.707 0.931 . . . . 0.0 110.974 -8.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -150.69 166.57 29.99 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.88 0.472 . . . . 0.0 109.834 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -88.96 145.93 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.476 -0.765 . . . . 0.0 109.689 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.64 169.85 31.75 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -99.02 124.33 43.93 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.62 102.62 11.57 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -92.18 64.21 4.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 126.309 1.844 . . . . 0.0 106.371 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.29 131.62 47.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -172.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -56.42 142.59 37.99 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.207 0.912 . . . . 0.0 108.841 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.1 m -59.0 166.51 1.98 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.996 0.903 . . . . 0.0 112.643 -176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -53.56 -31.21 45.66 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.249 1.42 . . . . 0.0 113.388 -174.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -146.73 -42.42 0.19 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 118.876 0.762 . . . . 0.0 111.396 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -67.29 161.34 25.21 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.842 0.857 . . . . 0.0 111.024 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 m -77.29 4.54 10.41 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.545 1.138 . . . . 0.0 112.888 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 p -72.52 -173.74 1.21 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.363 1.465 . . . . 0.0 110.71 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm -129.15 137.99 55.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -113.65 148.98 35.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 104.194 -2.521 . . . . 0.0 104.194 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -128.95 131.57 47.52 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.169 -0.957 . . . . 0.0 109.873 -170.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -131.45 146.38 52.23 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 m -97.79 125.83 42.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.28 156.28 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 122.02 0.914 . . . . 0.0 111.155 -169.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -105.47 116.23 31.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -73.26 143.45 13.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.56 -24.45 13.41 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.334 0.654 . . . . 0.0 110.757 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.67 176.59 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.84 148.8 42.12 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.07 168.97 7.78 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.0 147.08 27.43 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.037 1.824 . . . . 0.0 111.694 169.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -58.81 -31.22 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.961 0.504 . . . . 0.0 111.144 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -65.21 -26.79 68.29 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.86 0.864 . . . . 0.0 112.461 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -79.84 -26.32 40.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.883 -0.511 . . . . 0.0 110.493 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.0 m -95.58 28.48 2.97 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.044 0.938 . . . . 0.0 113.215 -169.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.35 -19.32 59.67 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 -176.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.4 -16.31 3.5 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -170.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -166.53 159.89 14.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.438 2.295 . . . . 0.0 104.853 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -92.18 144.42 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.362 0.983 . . . . 0.0 108.75 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -141.21 156.86 45.86 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.27 0.628 . . . . 0.0 110.753 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.48 142.96 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.897 1.679 . . . . 0.0 107.812 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.92 136.25 37.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.04 152.42 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 123.346 0.658 . . . . 0.0 109.919 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.34 141.06 51.54 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.641 1.177 . . . . 0.0 107.917 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -73.62 124.91 26.84 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.827 0.451 . . . . 0.0 110.778 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.8 mt -82.45 -24.27 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.17 -42.32 87.7 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.214 0.911 . . . . 0.0 112.634 -176.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.1 -29.57 0.05 OUTLIER Glycine 0 CA--C 1.527 0.802 0 CA-C-N 117.683 0.741 . . . . 0.0 114.161 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -84.71 38.35 0.69 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.99 1.395 . . . . 0.0 111.057 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -21.59 64.15 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.121 1.369 . . . . 0.0 111.922 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.77 -11.6 28.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.5 1.52 . . . . 0.0 113.083 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -135.45 164.14 28.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.669 1.188 . . . . 0.0 110.146 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 t -136.41 152.83 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 125.268 1.427 . . . . 0.0 107.473 -170.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -139.51 179.88 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.386 1.874 . . . . 0.0 108.977 -169.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -127.79 135.32 49.93 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 170.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.83 49.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -72.26 137.28 46.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.26 -26.64 66.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.754 0.422 . . . . 0.0 109.933 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -59.74 -14.39 14.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.881 1.672 . . . . 0.0 113.601 172.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 14.17 9.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.261 1.424 . . . . 0.0 109.581 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.73 149.08 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 120.256 -1.527 . . . . 0.0 108.507 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -133.53 133.4 42.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 169.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.84 25.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.879 0.472 . . . . 0.0 110.311 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.51 132.51 70.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.805 1.242 . . . . 0.0 107.693 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.43 38.63 18.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.84 1.656 . . . . 0.0 113.833 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -92.54 175.27 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 123.997 0.919 . . . . 0.0 111.007 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.16 163.63 24.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 169.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.15 -38.69 89.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.428 1.091 . . . . 0.0 110.878 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.77 -32.7 67.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.659 0.663 . . . . 0.0 110.725 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 m -72.64 -46.64 53.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -59.4 -39.37 83.18 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 119.109 0.868 . . . . 0.0 110.598 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.76 -41.01 99.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.931 0.893 . . . . 0.0 111.153 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.78 94.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.309 0.959 . . . . 0.0 111.015 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.66 -53.57 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.82 92.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.246 0.475 . . . . 0.0 110.365 -170.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.46 -36.41 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.514 1.126 . . . . 0.0 111.519 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -65.85 -43.69 87.73 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.452 0.301 . . . . 0.0 110.674 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.84 -33.11 75.09 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.655 -0.653 . . . . 0.0 110.968 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.96 -43.19 83.75 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.245 0.93 . . . . 0.0 109.967 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.93 -40.59 93.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.061 1.3 . . . . 0.0 111.622 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.22 -50.72 72.55 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.608 0.763 . . . . 0.0 109.464 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.35 -22.27 66.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.015 0.526 . . . . 0.0 112.378 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -12.12 60.98 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.213 1.005 . . . . 0.0 110.859 175.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.38 33.93 46.96 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.975 -174.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 57.6 -176.63 0.07 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.811 2.044 . . . . 0.0 112.778 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -129.78 -41.48 1.32 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.31 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 15.3 p90 . . . . . 0 C--O 1.25 1.097 0 CA-C-N 119.393 0.997 . . . . 0.0 109.563 170.845 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.56 150.66 26.7 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 125.126 1.37 . . . . 0.0 108.397 174.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -73.1 14.63 0.28 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.513 1.125 . . . . 0.0 113.667 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 p -72.27 -15.4 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 C-N-CA 125.838 1.655 . . . . 0.0 111.48 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -57.73 144.95 36.25 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.01 0.924 . . . . 0.0 112.307 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -50.97 14.77 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 168.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -164.96 162.33 20.51 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 128.192 2.597 . . . . 0.0 105.414 170.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -55.23 -26.07 37.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.305 0.957 . . . . 0.0 111.984 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 m -51.79 -32.75 32.53 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.221 1.008 . . . . 0.0 112.135 172.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -64.3 -49.78 70.44 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.19 1.359 . . . . 0.0 109.87 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -65.05 -36.75 85.36 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 119.125 -0.464 . . . . 0.0 110.637 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -64.42 -37.7 88.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.756 0.707 . . . . 0.0 111.434 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -73.09 -36.88 66.87 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 120.357 -1.465 . . . . 0.0 110.938 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt -56.2 -48.95 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 119.346 0.976 . . . . 0.0 108.745 169.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.78 -32.0 67.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.844 1.257 . . . . 0.0 112.033 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 p -106.61 -3.3 20.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.708 0.803 . . . . 0.0 113.096 -171.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -136.45 -22.43 1.3 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.1 -38.45 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.329 0.968 . . . . 0.0 110.308 -169.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.54 12.85 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.156 0.889 . . . . 0.0 112.151 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -56.33 -33.85 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.751 0.82 . . . . 0.0 111.969 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -86.67 -12.07 49.47 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.849 0.86 . . . . 0.0 112.138 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.73 161.77 28.23 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.604 -0.685 . . . . 0.0 111.837 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -149.77 -26.24 0.26 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.223 1.009 . . . . 0.0 112.196 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -147.05 170.75 16.5 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.086 1.355 . . . . 0.0 107.554 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -56.08 -29.37 60.47 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.522 1.529 . . . . 0.0 114.202 -171.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.62 -50.65 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -70.5 -32.14 69.52 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.602 -0.686 . . . . 0.0 111.085 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -57.61 8.96 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 124.832 1.253 . . . . 0.0 107.75 173.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.11 -29.16 61.7 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.961 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.7 mmt -64.18 -40.01 95.2 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 119.742 1.156 . . . . 0.0 110.896 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.9 -50.49 63.47 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.208 0.913 . . . . 0.0 110.957 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -57.8 -46.52 84.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.295 0.638 . . . . 0.0 111.023 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -67.02 -47.63 70.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.335 1.454 . . . . 0.0 110.431 -173.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -65.87 -39.45 90.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.064 0.847 . . . . 0.0 110.545 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.31 -52.18 66.66 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.465 0.706 . . . . 0.0 110.344 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.57 -44.8 77.35 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.911 -177.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.09 -33.25 71.83 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.212 0.605 . . . . 0.0 111.989 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.76 -25.17 48.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.4 m -97.46 -46.7 5.96 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.126 -0.359 . . . . 0.0 111.745 -169.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -66.23 121.27 14.84 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.37 1.068 . . . . 0.0 108.464 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.93 49.24 1.74 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.235 1.014 . . . . 0.0 109.92 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 23.9 p90 -64.25 163.38 25.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.583 0.753 . . . . 0.0 111.28 176.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.68 143.95 21.32 Favored 'Cis proline' 0 C--N 1.351 0.679 0 CA-C-N 120.067 1.06 . . . . 0.0 112.026 -10.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -145.43 158.23 43.87 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.438 0.563 . . . . 0.0 109.81 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 ttt -86.85 142.64 27.92 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.426 -0.796 . . . . 0.0 108.999 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.88 172.28 31.92 Favored Glycine 0 C--N 1.332 0.36 0 O-C-N 121.593 -0.692 . . . . 0.0 111.765 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.96 125.04 44.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -81.74 101.83 10.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -89.21 62.08 6.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.612 1.965 . . . . 0.0 107.154 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -58.41 126.04 25.88 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -87.75 2.82 50.21 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -177.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 m -139.99 99.48 3.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 120.048 1.294 . . . . 0.0 111.277 -169.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.14 109.01 2.87 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 169.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 62.65 -35.28 0.12 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.537 2.335 . . . . 0.0 113.865 -169.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -144.2 167.6 22.04 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.117 2.167 . . . . 0.0 108.285 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 m -71.88 13.42 0.29 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.139 1.776 . . . . 0.0 113.228 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -72.79 144.24 47.61 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.122 1.769 . . . . 0.0 110.037 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.82 139.5 20.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 169.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.93 150.07 52.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -121.56 127.28 50.79 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.748 0.419 . . . . 0.0 110.139 -169.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -127.86 139.11 52.82 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 170.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -88.47 127.96 35.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 158.81 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 122.045 0.926 . . . . 0.0 110.905 -169.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.87 115.18 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 169.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -75.05 130.35 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.8 -24.77 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.52 -179.97 35.68 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.43 149.87 32.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.89 166.36 10.23 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.205 171.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.18 153.46 9.35 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.782 2.322 . . . . 0.0 112.455 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -56.33 -30.92 63.21 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 123.266 0.627 . . . . 0.0 111.489 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.99 -31.43 72.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.618 0.767 . . . . 0.0 111.867 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.79 -47.71 16.19 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 171.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.4 m -71.71 9.97 0.77 Allowed 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.0 mt -78.95 -28.75 43.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.679 1.191 . . . . 0.0 109.657 169.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -86.49 -50.55 6.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.567 0.747 . . . . 0.0 109.815 -172.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -166.52 169.99 13.23 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.212 1.805 . . . . 0.0 107.255 -169.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.48 131.89 35.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.211 1.369 . . . . 0.0 111.391 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -140.45 160.26 40.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.363 1.065 . . . . 0.0 110.726 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.14 143.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 125.987 1.715 . . . . 0.0 107.948 -177.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -81.81 135.25 35.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 169.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.36 146.09 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 123.117 0.567 . . . . 0.0 110.211 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.34 133.1 56.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 125.204 1.402 . . . . 0.0 107.465 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -83.37 90.94 7.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.711 0.804 . . . . 0.0 109.558 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.3 mt -51.06 115.84 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.049 1.34 . . . . 0.0 109.009 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.11 -28.33 3.73 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.988 1.28 . . . . 0.0 112.608 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.81 -32.12 41.81 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-N 117.902 0.851 . . . . 0.0 111.129 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -136.3 -51.78 0.71 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.854 1.261 . . . . 0.0 109.428 171.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 50.53 17.94 0.42 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.402 1.881 . . . . 0.0 114.023 -171.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -156.49 13.65 0.29 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.95 1.3 . . . . 0.0 111.19 -171.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -151.17 158.14 43.58 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.62 1.568 . . . . 0.0 107.7 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.5 t -134.93 148.3 29.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.963 0.905 . . . . 0.0 108.96 -169.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -131.14 178.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.829 2.452 . . . . 0.0 107.959 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 m -126.26 137.15 53.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.62 153.58 47.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.363 1.465 . . . . 0.0 107.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -70.95 139.38 50.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 105.129 -2.175 . . . . 0.0 105.129 169.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.39 -28.62 67.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.553 0.615 . . . . 0.0 109.438 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 m -57.61 -24.97 59.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.751 2.02 . . . . 0.0 113.675 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -108.21 13.22 25.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.049 1.34 . . . . 0.0 109.574 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -118.06 148.4 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 O-C-N 120.527 -1.358 . . . . 0.0 108.262 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.62 133.46 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.1 156.61 29.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.628 0.728 . . . . 0.0 110.477 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.0 mt -122.74 130.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.86 38.09 11.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.086 1.754 . . . . 0.0 113.486 173.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.481 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -94.6 172.61 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.286 0.634 . . . . 0.0 111.029 -175.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.57 156.68 39.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.576 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.79 -39.57 77.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.55 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -74.05 -38.02 64.11 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.112 0.869 . . . . 0.0 110.644 -173.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.481 HG21 HG21 ' A' ' 105' ' ' VAL . 33.9 m -59.11 -50.34 74.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.106 0.963 . . . . 0.0 109.449 170.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.52 -37.79 88.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.1 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.16 -42.34 93.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.927 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.644 1.111 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.5 mt -66.75 -51.44 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.063 0.545 . . . . 0.0 109.538 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.66 91.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.933 0.333 . . . . 0.0 110.235 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.06 -41.45 99.46 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.097 0.959 . . . . 0.0 111.952 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.32 -46.01 89.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.59 -35.6 81.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.995 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -61.3 -56.2 23.17 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.974 1.261 . . . . 0.0 109.338 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -60.97 -40.13 92.22 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.848 0.859 . . . . 0.0 110.664 -174.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.91 -49.28 76.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.289 0.636 . . . . 0.0 110.601 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.37 66.61 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.275 0.63 . . . . 0.0 112.376 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -71.29 -12.34 61.39 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.171 0.896 . . . . 0.0 110.912 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.56 18.03 78.28 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -168.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.426 ' HB2' ' H ' ' A' ' 125' ' ' LYS 0.343 0.5 OUTLIER 32.63 -153.96 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 129.176 2.99 . . . . 0.0 115.739 -169.763 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.426 ' H ' ' HB2' ' A' ' 124' ' ' TYR . 24.9 mtpp -127.79 -31.68 2.41 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.064 0.945 . . . . 0.0 111.876 -169.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.248 1.006 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 169.744 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.91 -34.99 76.3 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.1 p -106.68 -0.71 23.44 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -141.89 -45.91 0.35 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.814 0.734 . . . . 0.0 112.473 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.4 mt -78.06 -47.64 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.408 1.004 . . . . 0.0 109.993 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 pt -122.37 13.3 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.901 0.88 . . . . 0.0 112.001 -174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.79 -36.17 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.988 0.915 . . . . 0.0 112.553 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.38 -12.43 56.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.799 0.84 . . . . 0.0 112.171 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.28 173.13 12.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.566 0.747 . . . . 0.0 111.972 -173.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -149.54 -43.61 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.362 1.065 . . . . 0.0 109.672 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -131.29 171.41 13.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.624 1.17 . . . . 0.0 109.376 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -50.45 -40.29 50.23 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.151 1.38 . . . . 0.0 114.477 -169.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.59 -41.42 84.12 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.16 -32.77 67.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.856 -0.528 . . . . 0.0 110.359 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -67.59 -42.77 81.94 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.53 95.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 122.702 0.401 . . . . 0.0 110.248 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -63.66 -37.98 89.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.37 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.79 -51.8 56.94 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 119.457 1.026 . . . . 0.0 110.949 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -58.63 -46.61 86.71 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.241 174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -59.89 -47.79 84.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.117 0.567 . . . . 0.0 110.467 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -66.94 -41.06 87.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.748 0.703 . . . . 0.0 110.716 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.52 -48.67 79.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.441 0.564 . . . . 0.0 110.208 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -66.95 -43.34 83.43 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.057 0.543 . . . . 0.0 109.682 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.63 -34.87 74.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.439 0.696 . . . . 0.0 111.625 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -78.65 -22.17 47.25 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.7 m -101.5 -44.61 5.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -169.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -70.67 126.77 30.53 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.622 0.769 . . . . 0.0 109.724 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -85.12 43.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.327 1.451 . . . . 0.0 110.393 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -62.8 158.19 54.09 Favored Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 121.143 -0.973 . . . . 0.0 110.453 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.54 147.89 76.58 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 120.108 1.074 . . . . 0.0 111.229 -6.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -150.85 161.98 41.65 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.089 0.555 . . . . 0.0 109.768 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -82.18 146.6 29.46 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 169.47 32.11 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -100.7 121.81 42.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 169.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -83.79 101.09 11.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.67 69.87 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.366 1.467 . . . . 0.0 107.721 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 tttm . . . . . 0 C--O 1.237 0.42 0 C-N-CA 122.396 0.278 . . . . 0.0 110.431 -171.473 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.232 0.156 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -85.78 87.9 7.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.09 151.65 47.22 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.418 0.628 . . . . 0.0 110.278 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -150.5 141.28 22.76 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 m -99.42 124.37 44.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -135.61 161.47 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 122.06 0.934 . . . . 0.0 111.276 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.26 113.33 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 169.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -73.93 143.34 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -103.4 -25.77 13.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.285 0.634 . . . . 0.0 110.517 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.75 173.63 29.58 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.0 152.41 43.47 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.43 165.81 8.32 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.89 157.75 7.45 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.039 2.493 . . . . 0.0 112.846 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.45 -30.34 62.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 112.249 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.54 -31.7 73.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.566 0.621 . . . . 0.0 111.764 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.28 -43.08 19.68 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.7 m -71.09 2.52 4.41 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -83.05 -16.27 47.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.384 1.473 . . . . 0.0 110.64 169.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -110.53 -37.84 5.37 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 124.121 0.969 . . . . 0.0 110.795 -169.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -164.53 170.83 15.34 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -80.33 127.64 32.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 120.388 1.449 . . . . 0.0 108.129 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -138.49 158.89 43.4 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.905 0.882 . . . . 0.0 110.141 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.16 142.59 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.414 1.486 . . . . 0.0 107.792 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -80.59 135.33 36.05 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.58 149.21 22.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 123.355 0.662 . . . . 0.0 109.944 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.21 125.77 53.76 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.97 99.4 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.074 0.55 . . . . 0.0 109.519 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 124.2 1.0 . . . . 0.0 109.811 -177.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.7 t . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.446 0.641 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -122.98 -176.81 3.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.079 2.552 . . . . 0.0 108.042 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.5 m -128.51 139.92 52.07 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.11 154.07 48.69 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.4 1.48 . . . . 0.0 108.506 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -70.95 137.59 49.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.27 -28.74 68.32 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 169.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -61.58 -15.05 35.3 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.889 1.675 . . . . 0.0 113.477 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.31 10.02 13.58 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.769 1.228 . . . . 0.0 109.371 -177.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -110.34 146.39 15.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 122.303 1.049 . . . . 0.0 108.696 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.62 106.54 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.82 150.82 46.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.07 132.39 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.63 39.16 20.84 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.839 1.656 . . . . 0.0 113.701 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.2 m -90.28 173.76 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.36 0.664 . . . . 0.0 110.902 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.85 163.39 25.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.621 0.725 . . . . 0.0 110.246 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.19 -38.67 80.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.021 1.328 . . . . 0.0 110.831 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -70.21 -34.57 73.07 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.99 0.814 . . . . 0.0 110.866 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.1 m -69.96 -47.79 60.91 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -38.79 84.72 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.17 -50.46 73.44 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.024 0.93 . . . . 0.0 111.461 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.45 86.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.887 0.312 . . . . 0.0 111.127 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.0 mt -66.3 -50.38 68.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.302 0.641 . . . . 0.0 109.649 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.68 -46.45 84.27 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.537 0.608 . . . . 0.0 110.168 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.43 -41.88 86.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.834 0.853 . . . . 0.0 110.724 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -66.28 -35.98 81.8 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.443 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.43 -30.78 70.61 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.114 -0.991 . . . . 0.0 111.602 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -66.04 -44.1 85.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.852 1.205 . . . . 0.0 110.15 170.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -61.11 -37.6 83.35 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.189 0.449 . . . . 0.0 111.512 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 69.7 tp -61.53 -49.29 77.29 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.1 78.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.069 0.548 . . . . 0.0 111.82 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 . . . . . 0 N--CA 1.463 0.213 0 C-N-CA 124.796 1.239 . . . . 0.0 113.729 176.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.5 mt . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.36 -38.96 78.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.793 0.837 . . . . 0.0 111.891 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 p -93.13 -14.06 27.7 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -133.93 -12.69 2.54 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mt -121.32 -41.28 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.878 1.217 . . . . 0.0 109.991 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.44 15.96 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.74 . . . . 0.0 112.042 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.52 -31.48 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.778 0.831 . . . . 0.0 111.83 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.88 10.4 26.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.602 1.161 . . . . 0.0 111.801 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.11 161.98 32.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.878 1.271 . . . . 0.0 111.39 -169.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -150.13 -41.45 0.13 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.933 0.893 . . . . 0.0 110.415 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -81.98 164.28 21.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.955 0.798 . . . . 0.0 108.948 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -59.35 -39.23 82.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.787 0.835 . . . . 0.0 111.896 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.95 -42.55 73.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -66.53 -43.1 86.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -62.53 -41.67 99.02 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.31 96.31 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.988 0.358 . . . . 0.0 110.774 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -64.36 -37.04 86.12 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-O 118.482 -0.77 . . . . 0.0 111.701 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.15 -50.15 66.61 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-N 119.427 1.012 . . . . 0.0 110.676 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.45 -50.43 73.74 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.654 0.382 . . . . 0.0 111.521 173.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -61.57 -46.93 87.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.151 0.58 . . . . 0.0 110.46 -173.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -65.5 -43.05 91.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.095 0.558 . . . . 0.0 110.513 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -62.77 -46.95 85.63 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.272 0.487 . . . . 0.0 110.296 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.64 -43.59 79.98 Favored 'General case' 0 C--O 1.228 -0.048 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.46 -33.76 71.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.838 0.744 . . . . 0.0 111.998 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.15 -22.54 44.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.243 0.617 . . . . 0.0 112.517 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -100.21 -45.18 5.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -68.83 127.69 34.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.83 45.1 1.22 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.329 1.452 . . . . 0.0 110.289 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 8.2 p90 -63.07 156.91 65.53 Favored Pre-proline 0 CA--C 1.545 0.766 0 O-C-N 121.208 -0.933 . . . . 0.0 111.325 175.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -68.37 146.94 80.12 Favored 'Cis proline' 0 C--N 1.349 0.596 0 CA-C-N 119.414 0.826 . . . . 0.0 111.72 -4.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -148.21 165.29 31.38 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.098 0.959 . . . . 0.0 109.529 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -92.54 145.18 24.64 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.286 -0.883 . . . . 0.0 109.403 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.75 170.17 32.44 Favored Glycine 0 C--N 1.334 0.447 0 O-C-N 121.137 -0.977 . . . . 0.0 111.501 172.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -100.15 125.34 46.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -82.03 104.21 12.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.687 -2.338 . . . . 0.0 104.687 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -86.61 68.33 10.13 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.679 1.591 . . . . 0.0 106.927 171.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttm . . . . . 0 C--N 1.333 -0.151 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -177.33 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.9 mm . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -117.61 151.57 36.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 169.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -128.06 126.97 42.27 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 -170.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -134.5 134.59 41.64 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.0 m -89.89 125.26 35.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.66 153.98 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.328 1.061 . . . . 0.0 111.367 -169.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.39 119.54 38.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.98 114.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.68 -35.57 44.98 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 122.55 0.34 . . . . 0.0 110.514 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.431 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 166.07 179.74 39.73 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.18 148.18 41.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.9 164.53 16.67 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 123.763 0.825 . . . . 0.0 109.335 169.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -60.13 157.21 35.68 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.654 1.569 . . . . 0.0 111.089 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -31.75 64.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.055 0.942 . . . . 0.0 112.268 -175.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.03 -27.61 68.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.079 0.951 . . . . 0.0 112.344 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.79 -36.26 37.34 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.6 m -80.76 34.37 0.34 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.857 1.263 . . . . 0.0 112.902 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.71 -21.73 21.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.226 1.01 . . . . 0.0 113.462 -174.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -137.29 -17.55 1.34 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.795 0.838 . . . . 0.0 113.105 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -154.76 165.08 37.74 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.0 mmt -93.7 140.9 29.1 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -136.2 157.08 47.67 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.128 0.571 . . . . 0.0 110.186 -174.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.88 143.22 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.544 1.538 . . . . 0.0 108.065 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -80.29 132.78 35.88 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.71 149.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -175.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.88 50.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.083 0.953 . . . . 0.0 108.535 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.35 123.72 21.55 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.131 0.572 . . . . 0.0 110.733 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 123.084 0.554 . . . . 0.0 110.053 177.433 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.542 0.657 0 CA-C-O 121.317 0.58 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -127.01 178.17 6.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.712 2.005 . . . . 0.0 109.501 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 m -127.49 136.01 51.17 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.6 154.41 47.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.201 1.4 . . . . 0.0 107.887 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.46 138.4 48.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.01 -28.22 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -60.9 -17.3 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.98 2.112 . . . . 0.0 113.606 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.56 11.38 17.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.84 1.656 . . . . 0.0 109.871 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.48 149.84 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 120.291 -1.506 . . . . 0.0 109.023 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.59 112.06 9.92 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 150.64 46.75 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.376 0.607 . . . . 0.0 110.206 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -119.44 131.97 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.502 1.521 . . . . 0.0 107.161 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.94 37.17 7.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.175 1.79 . . . . 0.0 113.436 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 109' ' ' THR . 4.3 p -92.47 173.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.556 0.742 . . . . 0.0 110.638 -174.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.68 157.63 29.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 122.093 0.949 . . . . 0.0 110.118 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.47 -42.47 96.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.83 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -74.26 -28.1 61.06 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.119 0.418 . . . . 0.0 110.801 -175.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.475 HG21 HG21 ' A' ' 105' ' ' VAL . 35.2 m -69.29 -48.52 61.42 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -40.88 97.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.96 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.67 -43.74 92.61 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.434 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.8 98.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.091 0.859 . . . . 0.0 110.707 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.82 -50.19 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.91 87.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.6 0.636 . . . . 0.0 110.484 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.59 -41.54 94.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.003 0.921 . . . . 0.0 111.456 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -65.59 -45.39 83.42 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 119.187 -0.435 . . . . 0.0 109.963 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.38 -34.44 77.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.929 0.786 . . . . 0.0 111.359 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -63.18 -52.99 60.14 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 119.213 0.915 . . . . 0.0 109.318 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -58.27 -39.99 80.68 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.67 0.788 . . . . 0.0 111.648 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.84 -53.37 58.71 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.621 1.568 . . . . 0.0 109.743 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.43 68.29 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.407 0.683 . . . . 0.0 112.377 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 . . . . . 0 CA--C 1.533 0.293 0 C-N-CA 123.989 0.916 . . . . 0.0 112.018 178.579 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.72 -37.21 86.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 112.564 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.5 p -100.84 -10.88 20.29 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.43 -20.73 1.83 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.568 1.076 . . . . 0.0 113.658 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.8 mt -107.54 -44.41 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.889 1.222 . . . . 0.0 109.689 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -122.6 14.5 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.568 0.747 . . . . 0.0 112.183 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.42 -35.18 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.465 1.106 . . . . 0.0 112.61 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -89.84 -7.31 54.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.91 0.884 . . . . 0.0 112.097 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.65 172.3 13.27 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.4 0.619 . . . . 0.0 112.005 -174.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -153.2 -43.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.619 1.168 . . . . 0.0 109.496 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.78 176.02 5.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.056 1.342 . . . . 0.0 108.935 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 120.767 -1.208 . . . . 0.0 111.4 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.22 -41.75 94.12 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.0 -34.61 76.83 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 110.75 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -66.15 -41.73 90.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.998 0.817 . . . . 0.0 110.382 175.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.0 93.43 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.46 0.573 . . . . 0.0 110.277 175.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -37.24 86.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.984 175.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.88 -51.61 56.07 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -56.77 -47.02 81.07 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.23 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.7 -53.41 58.45 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.654 0.382 . . . . 0.0 110.778 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.25 -35.07 73.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.01 -174.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.3 -47.49 84.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.9 0.773 . . . . 0.0 110.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.61 -44.4 82.19 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-O 118.921 -0.562 . . . . 0.0 109.877 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.93 -33.65 72.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.685 0.675 . . . . 0.0 111.976 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.14 -23.2 47.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.102 0.561 . . . . 0.0 112.46 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -99.99 -44.97 5.84 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.16 125.33 26.04 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.93 0.892 . . . . 0.0 109.639 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -82.58 45.86 1.01 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.507 1.523 . . . . 0.0 110.5 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.409 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 24.2 p90 -64.31 160.04 53.33 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.132 -0.98 . . . . 0.0 110.524 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.37 148.77 77.78 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 119.94 1.014 . . . . 0.0 110.945 -8.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -150.98 163.85 37.77 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.146 0.579 . . . . 0.0 109.585 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.42 147.85 26.89 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.35 -0.844 . . . . 0.0 108.965 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.06 166.47 31.51 Favored Glycine 0 N--CA 1.449 -0.495 0 O-C-N 121.248 -0.907 . . . . 0.0 110.893 172.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -98.63 126.2 44.15 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 169.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -83.11 106.87 15.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.6 64.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 106.438 -1.689 . . . . 0.0 106.438 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 tttm . . . . . 0 C--N 1.332 -0.184 0 C-N-CA 124.576 1.151 . . . . 0.0 109.49 -171.392 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -130.94 153.78 48.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.49 138.82 54.31 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -141.57 144.96 34.53 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -102.42 129.02 48.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.5 m -140.97 158.46 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 122.256 1.027 . . . . 0.0 111.347 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.13 123.0 46.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 168.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -81.49 137.62 20.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.31 -26.81 15.24 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 123.562 0.745 . . . . 0.0 109.977 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.04 177.36 35.03 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.5 mmm -62.65 148.36 46.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.19 165.16 18.13 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.2 152.96 62.36 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.264 1.309 . . . . 0.0 110.891 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -58.25 -28.35 64.84 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.469 0.707 . . . . 0.0 112.064 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.13 -29.3 70.69 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.279 1.031 . . . . 0.0 112.54 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.88 -31.38 35.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.807 0.443 . . . . 0.0 109.991 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -83.34 23.46 0.91 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.054 . . . . 0.0 112.809 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -21.68 56.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.465 1.106 . . . . 0.0 112.585 -173.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -135.33 -17.22 1.8 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -156.42 165.64 35.74 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -92.22 144.29 25.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -140.48 156.38 46.37 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.149 0.58 . . . . 0.0 110.402 -175.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.62 141.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.462 1.505 . . . . 0.0 107.462 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -77.93 134.55 37.86 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.49 150.01 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.331 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.77 135.62 53.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.065 1.346 . . . . 0.0 108.24 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.23 90.22 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.374 1.07 . . . . 0.0 110.604 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 125.566 1.547 . . . . 0.0 109.864 178.457 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.868 0.842 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -141.54 -172.73 3.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.651 2.381 . . . . 0.0 107.665 -170.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.58 140.64 51.15 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.78 48.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.42 1.488 . . . . 0.0 108.215 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -72.07 138.08 47.57 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.16 -27.2 69.21 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.5 m -64.06 -1.51 1.56 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.863 1.665 . . . . 0.0 113.709 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.45 10.77 4.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.955 1.302 . . . . 0.0 110.354 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -113.92 148.6 16.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 O-C-N 120.888 -1.132 . . . . 0.0 108.563 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -134.49 114.86 13.29 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.24 41.17 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.382 0.61 . . . . 0.0 110.84 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.9 mt -121.65 132.93 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.067 1.347 . . . . 0.0 107.395 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.96 38.77 21.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.979 1.712 . . . . 0.0 113.911 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.4 m -89.04 174.53 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.43 0.692 . . . . 0.0 111.148 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.81 162.63 23.57 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.897 0.856 . . . . 0.0 110.108 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.94 -38.8 89.85 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.631 1.172 . . . . 0.0 110.891 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -72.54 -31.03 64.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.644 0.656 . . . . 0.0 110.912 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.9 m -69.26 -46.96 66.0 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -44.68 95.15 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -62.48 -41.98 99.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.416 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.15 96.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.117 0.871 . . . . 0.0 111.074 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -66.76 -52.36 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.59 -44.8 81.41 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.188 0.595 . . . . 0.0 110.478 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.59 -36.72 85.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.443 0.697 . . . . 0.0 111.872 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -68.68 -41.0 79.85 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.796 0.438 . . . . 0.0 110.713 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.89 -30.58 70.78 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.469 -0.769 . . . . 0.0 110.903 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -64.44 -52.89 55.79 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 119.298 0.954 . . . . 0.0 108.663 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -52.5 -42.55 64.41 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.277 0.944 . . . . 0.0 111.569 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 tp -58.42 -52.92 63.59 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.231 1.012 . . . . 0.0 110.296 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.62 -25.97 68.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.409 0.684 . . . . 0.0 112.69 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 119.097 0.862 . . . . 0.0 111.64 175.861 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.232 0.173 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.7 -34.48 71.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.825 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 p -104.55 -10.19 17.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -134.61 -15.31 2.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -172.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -122.15 -43.92 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 119.9 1.227 . . . . 0.0 110.298 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.1 pt -119.85 15.28 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.779 0.832 . . . . 0.0 111.892 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.93 -33.5 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.952 0.901 . . . . 0.0 112.098 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.9 -8.03 52.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.981 0.912 . . . . 0.0 112.136 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 173.25 11.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.653 0.781 . . . . 0.0 111.52 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.55 -40.47 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.221 1.008 . . . . 0.0 110.309 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -133.0 172.39 12.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.754 1.221 . . . . 0.0 108.593 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.45 -37.69 65.48 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.047 1.739 . . . . 0.0 113.601 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.15 -40.97 86.78 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -72.26 -35.66 68.82 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.806 -0.559 . . . . 0.0 110.177 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -64.82 -41.32 95.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.958 0.799 . . . . 0.0 109.741 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.54 98.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 119.253 -0.403 . . . . 0.0 110.341 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mmt -62.97 -39.21 94.0 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.98 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.15 -50.83 62.62 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.227 0.921 . . . . 0.0 110.973 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -57.39 -49.64 75.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.863 0.331 . . . . 0.0 111.509 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.02 -47.4 86.02 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.466 0.706 . . . . 0.0 110.651 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.9 -43.27 93.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.214 0.461 . . . . 0.0 110.12 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -64.05 -46.04 86.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.858 0.299 . . . . 0.0 110.467 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.0 -43.65 87.1 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.172 0.589 . . . . 0.0 110.126 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.83 -32.75 70.95 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.675 0.671 . . . . 0.0 112.005 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.94 -21.43 40.44 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -100.59 -46.29 5.24 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.259 0.624 . . . . 0.0 112.23 -169.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.1 mt -68.92 127.29 32.58 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -169.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.99 37.45 0.6 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.846 0.858 . . . . 0.0 112.494 -171.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -58.64 154.33 35.89 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.671 0.789 . . . . 0.0 112.626 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.08 142.39 65.03 Favored 'Cis proline' 0 CA--C 1.536 0.622 0 CA-C-N 119.149 0.732 . . . . 0.0 111.557 -4.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.99 157.52 44.28 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.218 1.007 . . . . 0.0 108.788 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.7 ttt -87.62 144.35 26.72 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.142 -0.974 . . . . 0.0 109.579 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 167.87 31.52 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.278 -0.889 . . . . 0.0 111.336 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -96.35 124.6 40.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -86.13 100.1 11.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 169.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -87.44 67.79 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 tptp . . . . . 0 N--CA 1.46 0.026 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -171.546 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 mm . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -126.46 97.85 5.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.06 149.64 39.11 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.808 -0.558 . . . . 0.0 111.403 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -139.77 148.51 42.34 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 169.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 m -101.06 127.98 47.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -140.12 161.15 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.335 1.064 . . . . 0.0 111.527 -169.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.53 116.0 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 168.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.12 117.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -87.48 -27.88 22.39 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.414 0.686 . . . . 0.0 111.499 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.43 178.79 38.14 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -62.7 149.41 43.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 169.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.26 167.48 10.08 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.191 0.596 . . . . 0.0 110.135 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -51.61 154.1 9.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.969 2.446 . . . . 0.0 112.841 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.19 -28.19 64.56 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.85 0.86 . . . . 0.0 111.837 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.06 -31.02 70.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.873 0.869 . . . . 0.0 111.924 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -93.1 -39.63 10.96 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.331 0.653 . . . . 0.0 109.256 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.9 m -70.72 3.09 3.42 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.98 -20.21 49.7 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.413 1.485 . . . . 0.0 110.971 169.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -108.22 -38.91 5.63 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.176 0.59 . . . . 0.0 110.524 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -163.86 167.34 20.87 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -79.16 124.48 28.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 120.84 1.654 . . . . 0.0 108.819 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -130.38 155.64 46.05 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.232 1.013 . . . . 0.0 109.241 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.83 141.27 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.961 1.305 . . . . 0.0 108.073 -174.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.09 131.65 36.32 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.19 138.82 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.69 128.82 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.25 89.23 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.707 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.917 1.687 . . . . 0.0 109.248 178.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 CA--C 1.54 0.57 0 CA-C-O 121.622 0.725 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -118.5 177.12 4.94 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.427 2.691 . . . . 0.0 108.574 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.9 m -127.36 136.56 52.06 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.0 150.25 52.21 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.238 1.415 . . . . 0.0 108.424 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -73.33 136.56 44.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.12 -24.73 63.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.066 0.546 . . . . 0.0 110.938 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -60.84 -19.37 59.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.545 1.538 . . . . 0.0 113.142 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.72 14.64 18.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 125.046 1.338 . . . . 0.0 109.376 -176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.21 144.61 20.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 O-C-N 120.642 -1.286 . . . . 0.0 108.754 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -132.9 112.4 11.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.4 153.19 43.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.733 -0.604 . . . . 0.0 110.539 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -121.46 131.18 73.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.56 37.26 8.85 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.149 1.78 . . . . 0.0 113.44 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.522 HG21 HG21 ' A' ' 109' ' ' THR . 3.2 p -95.29 172.03 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.462 0.705 . . . . 0.0 110.742 -175.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.61 158.69 29.27 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 122.047 0.927 . . . . 0.0 110.451 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.73 -39.97 90.64 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.241 1.016 . . . . 0.0 110.855 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.78 -32.08 63.61 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.141 0.428 . . . . 0.0 110.905 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.522 HG21 HG21 ' A' ' 105' ' ' VAL . 87.4 m -67.85 -46.68 71.07 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -45.43 94.78 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.13 -41.73 97.26 Favored 'General case' 0 C--O 1.23 0.05 0 CA-C-N 118.844 0.747 . . . . 0.0 111.729 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.28 99.19 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.439 0.563 . . . . 0.0 111.071 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.2 mt -67.67 -50.41 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 C-N-CA 123.398 0.679 . . . . 0.0 109.241 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.0 71.23 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.397 0.679 . . . . 0.0 110.34 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -64.09 -33.35 75.56 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 122.964 0.506 . . . . 0.0 112.275 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.32 -40.63 90.05 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.305 -0.872 . . . . 0.0 110.432 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.87 -36.29 80.02 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.475 -0.766 . . . . 0.0 110.673 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -68.63 -40.66 80.2 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.309 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -55.88 -37.52 68.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.833 1.253 . . . . 0.0 111.04 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -50.75 71.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.494 0.718 . . . . 0.0 109.782 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.5 -21.02 59.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.534 0.734 . . . . 0.0 112.667 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 . . . . . 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.03 172.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--O 1.234 0.251 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.68 -41.93 98.23 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.634 0.374 . . . . 0.0 111.652 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.4 p -87.83 -13.64 41.61 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -172.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -133.08 -17.39 2.4 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -121.28 -42.92 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 119.41 1.004 . . . . 0.0 110.048 -169.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 pt -117.19 15.65 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 123.481 0.712 . . . . 0.0 111.74 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.56 -33.93 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 124.142 0.977 . . . . 0.0 111.744 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.03 -8.88 56.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.099 0.96 . . . . 0.0 112.198 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.23 172.22 12.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.469 0.652 . . . . 0.0 111.701 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -149.85 -33.03 0.19 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.397 1.079 . . . . 0.0 111.153 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -142.85 173.84 11.19 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.32 1.448 . . . . 0.0 107.468 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.66 -27.72 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.64 -40.18 92.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.677 0.671 . . . . 0.0 109.409 172.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -71.03 -31.23 67.65 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.679 -0.638 . . . . 0.0 110.599 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -65.13 -44.54 88.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.211 0.914 . . . . 0.0 109.239 174.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.19 94.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.573 0.349 . . . . 0.0 110.552 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -64.76 -38.37 90.76 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.225 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.08 -51.13 60.22 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.445 1.02 . . . . 0.0 110.798 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.53 -47.97 80.55 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.591 0.356 . . . . 0.0 111.515 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -60.89 -47.34 86.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.126 0.571 . . . . 0.0 110.271 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -67.06 -40.61 87.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.705 0.684 . . . . 0.0 110.67 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -63.51 -47.07 83.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.247 0.476 . . . . 0.0 110.264 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.49 -40.53 80.87 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.041 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -35.07 73.49 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 111.768 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -78.34 -22.85 47.39 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.3 m -100.25 -46.56 5.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -69.98 132.44 45.94 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.595 0.758 . . . . 0.0 110.214 -169.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.96 24.58 0.4 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.611 1.164 . . . . 0.0 113.56 -176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -58.49 155.21 29.64 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.178 -0.951 . . . . 0.0 111.767 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.62 144.3 63.17 Favored 'Cis proline' 0 C--N 1.351 0.702 0 CA-C-N 119.834 0.977 . . . . 0.0 111.457 -3.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -147.49 167.22 25.02 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.177 0.591 . . . . 0.0 109.838 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ttt -91.71 147.0 23.31 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.395 -0.816 . . . . 0.0 109.246 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.99 177.36 31.48 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 173.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -102.32 124.73 48.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.42 103.1 10.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 169.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -88.28 64.54 7.66 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.554 1.942 . . . . 0.0 106.208 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt . . . . . 0 C--N 1.332 -0.189 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -174.683 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.1 mm . . . . . 0 CA--C 1.532 0.28 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -113.44 149.24 34.5 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.08 126.01 40.37 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.32 -0.862 . . . . 0.0 109.314 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -137.86 130.75 30.03 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.6 m -79.12 130.22 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 m -142.43 160.77 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 122.136 0.97 . . . . 0.0 111.937 -169.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -110.94 122.28 47.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 168.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -83.37 139.51 17.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.92 -19.6 19.41 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.131 0.572 . . . . 0.0 110.722 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.58 171.55 20.85 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.2 mtp -65.09 151.1 46.91 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.6 166.37 9.51 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 123.202 0.601 . . . . 0.0 110.338 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.66 155.53 7.61 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.034 2.489 . . . . 0.0 112.928 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.78 -29.42 62.65 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.835 0.854 . . . . 0.0 111.848 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.12 -31.9 71.59 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.69 0.796 . . . . 0.0 111.934 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.28 -38.39 12.69 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -69.56 6.51 1.07 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.28 -17.7 51.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.511 1.524 . . . . 0.0 111.804 169.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -117.75 -28.34 6.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.924 0.784 . . . . 0.0 113.018 -169.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.13 169.75 21.74 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mmt -83.65 127.99 34.19 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -132.01 156.2 46.67 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.521 0.728 . . . . 0.0 110.086 -174.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -141.48 139.54 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.955 1.302 . . . . 0.0 108.596 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.89 136.87 38.86 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.6 p -149.88 144.79 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.301 -0.249 . . . . 0.0 110.763 -168.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.81 140.06 47.8 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.747 1.219 . . . . 0.0 108.839 -175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.11 114.84 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.964 0.906 . . . . 0.0 110.845 -175.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.7 mt . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.259 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 121.684 0.754 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -140.61 -176.24 4.57 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.735 2.414 . . . . 0.0 108.501 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.49 141.29 51.04 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.71 160.23 38.17 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.84 1.256 . . . . 0.0 108.993 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -75.06 140.27 43.39 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 169.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.49 -28.41 65.36 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 169.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m -56.6 -24.31 46.81 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.804 2.042 . . . . 0.0 114.064 174.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.16 12.05 27.0 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.091 1.356 . . . . 0.0 110.075 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -119.2 151.51 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 O-C-N 120.257 -1.527 . . . . 0.0 108.643 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -138.36 134.76 34.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.51 154.25 21.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.586 0.708 . . . . 0.0 110.668 -173.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.2 mt -122.95 132.52 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.29 31.27 9.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.868 1.667 . . . . 0.0 114.444 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 m -82.99 174.26 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 121.22 -0.925 . . . . 0.0 111.135 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.33 161.12 17.42 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.986 0.898 . . . . 0.0 109.151 169.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.41 -41.17 98.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.185 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -72.11 -28.56 63.37 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.285 0.493 . . . . 0.0 111.324 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.0 m -69.45 -48.24 61.47 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.768 -0.826 . . . . 0.0 108.768 173.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.83 -41.67 99.43 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.562 0.619 . . . . 0.0 109.773 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -59.26 -44.41 92.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.943 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.11 93.71 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.042 0.837 . . . . 0.0 111.32 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.92 -50.79 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.184 0.594 . . . . 0.0 109.6 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.79 88.53 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.51 0.596 . . . . 0.0 110.524 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.54 -40.74 97.81 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 111.469 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -62.9 -43.86 97.66 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 119.08 -0.486 . . . . 0.0 109.695 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.31 -32.73 74.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.937 0.79 . . . . 0.0 111.676 -176.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -65.52 -49.85 67.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.611 1.096 . . . . 0.0 110.703 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -59.26 -42.03 90.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.741 0.816 . . . . 0.0 110.806 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.11 -52.54 65.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.434 1.894 . . . . 0.0 110.075 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.39 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.567 0.747 . . . . 0.0 112.137 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.628 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mt . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.18 -33.57 69.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 112.251 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 p -107.1 -10.59 15.85 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -132.65 -14.98 2.78 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.129 0.877 . . . . 0.0 112.882 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mt -121.37 -47.2 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.543 1.065 . . . . 0.0 109.927 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.8 pt -115.69 13.47 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.973 0.806 . . . . 0.0 112.064 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.87 -34.07 36.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.907 0.883 . . . . 0.0 112.022 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.38 -9.85 53.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.107 0.963 . . . . 0.0 112.184 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.71 178.78 7.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.922 0.889 . . . . 0.0 111.643 -175.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.46 -43.22 0.22 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.01 0.924 . . . . 0.0 110.536 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -141.52 171.6 13.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.328 1.451 . . . . 0.0 108.105 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -49.25 -37.76 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.467 1.907 . . . . 0.0 114.751 -169.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.17 -42.96 75.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.66 0.663 . . . . 0.0 109.54 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -69.54 -32.91 72.01 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.336 0.654 . . . . 0.0 110.29 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -70.04 -40.91 74.85 Favored 'General case' 0 N--CA 1.462 0.154 0 O-C-N 121.528 -0.733 . . . . 0.0 109.043 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.69 -43.38 85.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.243 0.474 . . . . 0.0 110.465 171.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -64.72 -38.55 91.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.489 0.586 . . . . 0.0 111.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.83 -51.3 57.87 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -58.41 -47.47 83.8 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.288 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -57.89 -53.46 58.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.121 0.568 . . . . 0.0 110.717 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.36 -30.61 63.42 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.096 -173.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.45 -46.3 86.9 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.142 0.883 . . . . 0.0 110.167 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.71 -45.11 87.97 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.694 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.71 -33.82 70.62 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.602 0.637 . . . . 0.0 112.02 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.33 -22.02 45.09 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.27 0.628 . . . . 0.0 112.507 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -99.32 -45.95 5.69 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.118 0.567 . . . . 0.0 111.807 -170.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.01 125.32 25.95 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.905 0.882 . . . . 0.0 109.072 -169.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -82.88 49.73 1.57 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.258 1.423 . . . . 0.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 27.6 p90 -63.72 158.43 60.44 Favored Pre-proline 0 CA--C 1.545 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 110.661 173.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.74 144.39 64.1 Favored 'Cis proline' 0 C--N 1.35 0.612 0 CA-C-N 119.829 0.975 . . . . 0.0 110.752 -7.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -146.11 161.75 39.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttt -90.99 144.68 25.41 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.532 -0.73 . . . . 0.0 109.111 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.43 170.41 32.86 Favored Glycine 0 C--N 1.332 0.353 0 O-C-N 121.509 -0.744 . . . . 0.0 111.871 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -100.6 127.45 46.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -84.03 106.55 15.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -89.8 66.57 7.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 125.071 1.348 . . . . 0.0 107.386 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.0 tttt . . . . . 0 C--N 1.332 -0.172 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -175.795 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.25 148.76 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.91 137.61 51.03 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.966 0.506 . . . . 0.0 110.104 -169.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -134.4 139.08 45.33 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.6 m -94.83 125.59 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.9 155.92 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 122.199 1.0 . . . . 0.0 110.962 -169.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -105.23 118.84 37.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 169.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -79.3 140.85 16.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 173.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.06 -24.58 14.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.235 0.614 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.43 178.04 35.96 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 93.9 mmm -62.13 150.19 39.28 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 169.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 165.93 8.17 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.35 145.78 97.94 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 CA-C-N 120.394 1.177 . . . . 0.0 110.312 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -58.77 -27.91 65.43 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.849 0.86 . . . . 0.0 111.895 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.88 -24.29 66.84 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.859 1.264 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.53 -8.35 35.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.368 0.667 . . . . 0.0 111.301 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -105.31 24.4 12.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.946 0.898 . . . . 0.0 112.537 -169.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -20.13 61.23 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.693 0.797 . . . . 0.0 112.184 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -126.72 -20.7 4.23 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -162.84 161.5 26.01 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 141.39 28.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.597 0.759 . . . . 0.0 110.299 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.77 158.3 44.16 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.154 0.982 . . . . 0.0 110.412 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.06 144.83 32.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.559 1.544 . . . . 0.0 107.797 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.75 135.18 35.94 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.5 152.01 21.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 123.131 0.572 . . . . 0.0 110.18 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.27 137.04 53.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.68 125.82 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.755 0.422 . . . . 0.0 110.5 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.5 mt . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.647 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.8 t . . . . . 0 CA--C 1.535 0.382 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -137.65 178.52 7.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 126.433 1.893 . . . . 0.0 109.025 -169.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.2 m -127.66 135.76 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.94 151.85 49.21 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.052 1.341 . . . . 0.0 107.791 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -64.04 126.66 28.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 m -69.61 -4.72 20.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.355 2.262 . . . . 0.0 113.028 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.74 12.84 9.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.876 1.67 . . . . 0.0 109.222 177.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -111.13 147.74 14.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 O-C-N 120.467 -1.396 . . . . 0.0 108.609 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.11 112.19 11.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.21 152.1 45.49 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.338 0.59 . . . . 0.0 110.472 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.6 mt -119.43 132.1 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.05 39.39 11.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.072 1.749 . . . . 0.0 113.3 173.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.424 HG21 HG21 ' A' ' 109' ' ' THR . 2.3 p -96.72 171.81 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.469 0.708 . . . . 0.0 110.508 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.22 157.68 36.46 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.328 0.585 . . . . 0.0 110.9 178.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.9 -38.32 72.64 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.621 0.768 . . . . 0.0 113.042 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -75.61 -38.12 59.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.274 0.943 . . . . 0.0 110.67 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.424 HG21 HG21 ' A' ' 105' ' ' VAL . 27.4 m -60.89 -47.32 86.95 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.153 0.981 . . . . 0.0 109.37 170.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -63.19 -45.18 92.96 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -60.39 -44.9 95.22 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.312 0.645 . . . . 0.0 111.17 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.28 95.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.172 0.442 . . . . 0.0 110.588 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.6 -51.48 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.991 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.14 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.086 0.857 . . . . 0.0 110.557 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.09 -41.64 92.94 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.707 0.803 . . . . 0.0 111.348 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -67.11 -41.2 86.6 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.211 0.46 . . . . 0.0 110.697 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.52 -44.92 77.23 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.636 0.653 . . . . 0.0 110.874 -175.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.251 1.8 p90 -76.27 -23.14 54.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.523 1.056 . . . . 0.0 111.642 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -66.88 -37.26 84.07 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.736 1.153 . . . . 0.0 109.14 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.51 -49.25 75.27 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.32 172.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -22.81 67.11 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.182 0.993 . . . . 0.0 112.76 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 . . . . . 0 CA--C 1.535 0.379 0 C-N-CA 123.993 0.917 . . . . 0.0 112.018 176.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.42 -40.38 94.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.08 0.552 . . . . 0.0 111.99 -174.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -83.77 -9.18 58.99 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.168 1.174 . . . . 0.0 114.168 -169.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.5 -24.74 0.14 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -79.25 -40.67 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 120.472 1.487 . . . . 0.0 109.341 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.11 15.34 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.856 0.862 . . . . 0.0 112.387 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.91 -33.58 35.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.539 -0.726 . . . . 0.0 112.265 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.72 -8.11 55.08 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.225 1.01 . . . . 0.0 112.135 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.42 171.86 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.681 -0.637 . . . . 0.0 111.613 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -150.31 -42.54 0.13 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.266 1.026 . . . . 0.0 110.156 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -121.42 178.17 4.91 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.876 1.271 . . . . 0.0 109.045 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -64.08 -37.88 89.04 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.902 -1.124 . . . . 0.0 112.183 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.69 -41.22 88.42 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -66.64 -34.19 77.31 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.008 -0.433 . . . . 0.0 110.503 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -68.22 -43.56 77.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.888 0.767 . . . . 0.0 110.12 176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.61 85.83 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.709 0.686 . . . . 0.0 110.517 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -37.47 85.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.696 -0.668 . . . . 0.0 112.114 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.57 -51.61 55.44 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -56.42 -47.36 79.19 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.22 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.46 -53.49 57.52 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.298 0.499 . . . . 0.0 110.786 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.52 -31.65 67.29 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.421 0.555 . . . . 0.0 111.276 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.67 -45.74 81.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.81 0.732 . . . . 0.0 110.314 175.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.11 -40.02 90.42 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.58 -0.724 . . . . 0.0 109.683 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.94 -34.42 73.22 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.063 0.847 . . . . 0.0 111.505 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.95 -22.09 46.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.166 0.586 . . . . 0.0 112.439 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.7 m -98.86 -47.25 5.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.001 0.52 . . . . 0.0 111.834 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.73 120.31 15.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -84.25 48.7 1.53 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.16 0.984 . . . . 0.0 109.99 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.41 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 16.8 p90 -63.45 159.43 50.83 Favored Pre-proline 0 CA--C 1.546 0.817 0 O-C-N 121.581 -0.699 . . . . 0.0 110.763 174.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.52 144.53 58.72 Favored 'Cis proline' 0 C--N 1.35 0.65 0 CA-C-N 119.998 1.035 . . . . 0.0 111.004 -5.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 160.74 41.05 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -88.58 144.32 26.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.38 171.07 31.63 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 119.201 0.909 . . . . 0.0 111.92 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -100.65 124.21 45.92 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 169.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.44 107.09 13.92 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -83.57 64.95 8.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.624 1.17 . . . . 0.0 107.865 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.248 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.3 mm . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -107.01 146.85 30.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 168.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.25 111.79 17.37 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -169.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -118.36 121.77 41.2 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -77.54 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.3 m -139.42 159.08 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.035 0.922 . . . . 0.0 110.558 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.77 123.2 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 168.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -85.01 130.52 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -88.18 -26.36 22.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.777 0.431 . . . . 0.0 110.418 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.76 176.04 34.42 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 95.0 mtp -64.09 150.69 44.96 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.31 166.79 15.11 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.9 149.71 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.628 2.219 . . . . 0.0 112.492 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.54 -30.19 64.99 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.846 0.459 . . . . 0.0 111.284 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.26 -26.61 68.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 112.52 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -81.49 -31.74 32.77 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.82 -0.55 . . . . 0.0 109.97 172.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.32 25.05 1.05 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.238 -169.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -19.95 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.33 1.052 . . . . 0.0 112.71 -175.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -133.35 -23.9 1.86 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.128 0.971 . . . . 0.0 113.049 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -155.59 158.66 38.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.53 143.85 29.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.8 158.46 44.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.967 0.907 . . . . 0.0 110.323 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.52 139.94 31.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 125.37 1.468 . . . . 0.0 108.022 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -78.78 135.13 37.01 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -139.22 151.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 123.035 0.534 . . . . 0.0 109.855 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.9 133.19 53.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -65.88 130.79 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 175.236 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -139.89 -177.27 4.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.917 2.087 . . . . 0.0 108.969 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.49 139.56 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 161.77 28.64 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.877 1.671 . . . . 0.0 107.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -85.05 144.42 28.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.51 -30.59 70.72 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 168.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -62.2 -13.17 24.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.576 1.951 . . . . 0.0 114.933 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -131.73 19.52 4.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 120.248 1.386 . . . . 0.0 112.39 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.07 152.5 13.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.651 1.581 . . . . 0.0 108.143 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.47 134.4 33.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.83 158.12 29.63 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.808 0.813 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -124.4 131.82 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.64 41.2 13.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.887 1.675 . . . . 0.0 113.143 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 109' ' ' THR . 2.3 p -98.38 171.47 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.513 0.725 . . . . 0.0 110.396 -178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 157.89 37.22 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.53 0.681 . . . . 0.0 110.802 178.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.66 -38.01 74.37 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.72 -175.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.93 -38.26 57.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.112 0.869 . . . . 0.0 110.601 -174.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.467 HG21 HG21 ' A' ' 105' ' ' VAL . 38.0 m -59.45 -50.29 74.49 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.75 0.82 . . . . 0.0 109.162 170.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.31 -38.31 89.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.286 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.96 -43.03 94.01 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.793 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.77 95.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.923 0.783 . . . . 0.0 110.612 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.37 -53.62 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.316 0.646 . . . . 0.0 109.59 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.12 91.16 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.23 0.468 . . . . 0.0 110.983 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.48 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 10.2 t70 -62.37 -46.96 86.27 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 110.292 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -63.38 -37.48 87.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.471 0.308 . . . . 0.0 111.166 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.16 -42.43 75.93 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 121.571 -0.705 . . . . 0.0 110.455 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.48 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 3.0 p90 -71.75 -33.47 68.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.431 174.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -58.82 -37.88 77.42 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 120.787 1.63 . . . . 0.0 111.725 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.83 -48.32 80.1 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.745 -0.597 . . . . 0.0 109.58 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.15 66.85 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 . . . . . 0 N--CA 1.468 0.446 0 CA-C-N 120.104 1.32 . . . . 0.0 111.674 172.149 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.15 -35.59 79.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.889 0.876 . . . . 0.0 112.502 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.8 p -102.8 -12.75 17.36 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -137.3 -14.74 1.5 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.31 -47.89 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 120.139 1.336 . . . . 0.0 109.473 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -120.16 13.46 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.471 0.708 . . . . 0.0 112.083 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.25 -35.25 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.471 1.108 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.75 -6.47 48.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.918 0.887 . . . . 0.0 111.898 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.82 165.71 24.8 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.651 -0.656 . . . . 0.0 111.662 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' H ' ' HB2' ' A' ' 27' ' ' GLU . 37.1 tt0 -148.41 -27.69 0.32 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.094 0.958 . . . . 0.0 112.164 -175.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -148.1 174.15 12.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.099 1.36 . . . . 0.0 107.909 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -56.19 -36.44 68.39 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.846 1.259 . . . . 0.0 114.304 -170.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.96 -37.95 82.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 23' ' ' GLU . 48.3 mm-40 -73.07 -34.37 66.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.701 -0.624 . . . . 0.0 110.323 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -43.84 97.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.364 0.983 . . . . 0.0 109.235 172.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.92 93.23 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.349 0.522 . . . . 0.0 110.461 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -62.99 -40.48 97.88 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.153 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.06 -51.51 57.9 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.034 0.834 . . . . 0.0 111.106 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -59.18 -45.81 90.04 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.304 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -59.78 -48.86 79.99 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.327 0.651 . . . . 0.0 110.422 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -65.15 -41.2 94.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.558 0.617 . . . . 0.0 110.58 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.68 -46.0 77.07 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.099 0.409 . . . . 0.0 110.568 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.76 -40.2 88.16 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.74 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.89 -34.56 73.34 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.932 0.787 . . . . 0.0 111.567 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -78.8 -21.73 47.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.29 0.636 . . . . 0.0 112.404 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.9 m -100.17 -45.72 5.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.962 0.505 . . . . 0.0 112.236 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -71.3 126.32 29.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -170.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.75 44.16 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.238 1.415 . . . . 0.0 110.384 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 6.5 p90 -63.57 156.73 69.82 Favored Pre-proline 0 CA--C 1.545 0.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.938 174.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.03 145.9 76.54 Favored 'Cis proline' 0 C--N 1.349 0.57 0 CA-C-N 119.649 0.91 . . . . 0.0 111.666 -4.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -147.71 167.14 25.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.272 1.029 . . . . 0.0 109.381 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -94.16 145.16 24.89 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.26 -0.9 . . . . 0.0 108.941 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.59 171.0 31.77 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 119.753 1.161 . . . . 0.0 111.544 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -101.07 124.52 46.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.54 102.67 10.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -86.85 64.52 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.495 1.918 . . . . 0.0 106.317 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.0 tttm . . . . . 0 C--N 1.33 -0.278 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -173.788 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 mm . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -113.51 149.79 33.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 104.44 -2.43 . . . . 0.0 104.44 169.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.2 126.8 41.7 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.229 -0.919 . . . . 0.0 109.224 -169.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -137.35 130.34 30.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 m -81.27 128.51 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.8 154.53 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 122.257 1.027 . . . . 0.0 110.587 -171.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.19 126.03 44.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 168.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.8 t -96.4 111.75 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -38.52 59.78 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.137 0.575 . . . . 0.0 110.216 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.07 178.24 38.18 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.0 mtp -64.4 151.29 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.32 0.581 . . . . 0.0 110.109 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 165.43 8.2 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.241 1.017 . . . . 0.0 109.897 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -62.83 163.97 20.32 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.838 1.692 . . . . 0.0 111.604 174.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.18 -28.33 64.67 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.976 0.91 . . . . 0.0 112.166 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.33 -31.2 71.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.436 0.694 . . . . 0.0 111.888 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -86.89 -43.65 12.27 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.0 m -71.85 2.65 5.16 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.04 -20.09 53.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.237 1.415 . . . . 0.0 110.837 169.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -106.87 -41.82 5.1 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.553 0.741 . . . . 0.0 110.02 -169.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -165.4 166.41 18.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.166 1.386 . . . . 0.0 107.544 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -79.47 125.92 30.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 119.905 1.23 . . . . 0.0 108.514 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -134.83 158.42 44.25 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.431 1.093 . . . . 0.0 109.485 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.99 140.98 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.989 1.315 . . . . 0.0 108.005 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -80.15 131.53 35.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.95 151.27 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.72 0.808 . . . . 0.0 109.324 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.67 126.85 48.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.28 120.38 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 123.349 0.66 . . . . 0.0 109.263 177.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -142.04 -161.11 1.18 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.924 1.69 . . . . 0.0 108.986 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -129.14 143.62 50.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.242 0.928 . . . . 0.0 109.721 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.19 156.92 45.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.985 1.714 . . . . 0.0 108.807 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -72.1 137.75 47.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 169.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.22 -29.32 68.66 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 m -61.96 -15.89 47.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.833 1.653 . . . . 0.0 113.362 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.89 12.34 16.85 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.469 1.108 . . . . 0.0 109.088 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.91 146.35 18.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.507 -1.371 . . . . 0.0 108.97 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -133.66 113.61 12.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 170.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.24 152.47 44.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.417 0.627 . . . . 0.0 110.26 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -119.49 132.36 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.62 39.46 9.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.022 1.729 . . . . 0.0 113.176 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.428 HG21 HG21 ' A' ' 109' ' ' THR . 3.7 p -95.86 173.22 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.668 0.787 . . . . 0.0 110.37 -175.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.34 158.83 25.43 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 122.142 0.972 . . . . 0.0 110.552 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.15 -41.95 97.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.761 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -74.81 -27.8 60.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.368 0.531 . . . . 0.0 110.71 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.428 HG21 HG21 ' A' ' 105' ' ' VAL . 31.2 m -69.55 -47.69 62.81 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 173.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -44.73 96.3 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.74 -43.06 98.41 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.137 0.575 . . . . 0.0 111.517 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.38 99.49 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.868 0.758 . . . . 0.0 111.227 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -66.08 -50.25 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.78 74.86 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.045 0.538 . . . . 0.0 110.379 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 8.0 t70 -65.43 -36.97 85.54 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -67.14 -36.15 81.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.928 -0.483 . . . . 0.0 110.778 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.19 -31.48 71.91 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.273 -0.892 . . . . 0.0 110.992 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 12.6 m-30 -61.73 -51.04 69.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.536 1.062 . . . . 0.0 109.253 171.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -57.96 -41.25 82.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.23 1.012 . . . . 0.0 111.555 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.07 -51.36 69.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.396 1.078 . . . . 0.0 110.4 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.2 72.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.915 0.486 . . . . 0.0 111.866 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 N--CA 1.466 0.364 0 C-N-CA 124.823 1.249 . . . . 0.0 112.656 177.023 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.21 -42.46 98.63 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.526 -173.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -100.58 -13.39 18.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.244 0.929 . . . . 0.0 113.209 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 -19.96 5.76 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.109 0.868 . . . . 0.0 112.698 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -116.47 -48.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.658 1.117 . . . . 0.0 110.283 -170.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 pt -115.73 11.83 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.064 0.847 . . . . 0.0 112.46 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.96 -35.34 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.363 1.065 . . . . 0.0 112.616 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.52 -8.34 47.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.113 0.965 . . . . 0.0 112.022 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 176.93 9.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.659 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -144.98 -44.44 0.23 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.929 0.892 . . . . 0.0 110.737 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -139.74 172.72 12.38 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.604 1.162 . . . . 0.0 109.075 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -37.63 26.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -169.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -69.79 -42.66 73.45 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -70.22 -35.79 74.11 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.333 0.653 . . . . 0.0 110.087 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -68.14 -41.64 81.36 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.698 -0.626 . . . . 0.0 109.328 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.72 91.13 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.774 0.43 . . . . 0.0 110.533 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -39.78 95.37 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.753 0.706 . . . . 0.0 111.73 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.59 62.67 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 119.195 0.907 . . . . 0.0 111.118 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -57.52 -49.02 77.68 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.969 0.507 . . . . 0.0 111.173 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.78 -47.31 86.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.647 0.779 . . . . 0.0 110.554 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -65.28 -43.46 91.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.583 0.629 . . . . 0.0 110.34 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.23 -45.75 86.81 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.008 0.367 . . . . 0.0 110.365 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.67 -44.27 82.27 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.781 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.5 -34.35 72.48 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.879 0.763 . . . . 0.0 111.898 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.4 -22.86 50.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.169 0.588 . . . . 0.0 112.56 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -100.23 -45.28 5.67 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.022 0.529 . . . . 0.0 112.168 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.17 125.9 27.84 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.869 0.867 . . . . 0.0 108.698 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -83.23 47.19 1.21 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.202 1.401 . . . . 0.0 110.232 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 29.7 p90 -64.65 159.0 64.94 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 121.287 -0.883 . . . . 0.0 110.644 175.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.46 144.78 64.53 Favored 'Cis proline' 0 C--N 1.349 0.59 0 CA-C-N 119.789 0.96 . . . . 0.0 110.721 -8.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.11 164.35 32.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -93.01 145.54 24.29 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.474 -0.766 . . . . 0.0 109.075 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.85 170.95 33.16 Favored Glycine 0 C--N 1.333 0.364 0 O-C-N 121.481 -0.762 . . . . 0.0 111.907 174.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -99.7 124.08 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -85.59 106.09 16.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.246 -2.502 . . . . 0.0 104.246 169.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -83.99 63.71 7.75 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 C--N 1.332 -0.167 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -173.665 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--O 1.234 0.253 0 CA-C-O 122.304 1.049 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.87 141.43 48.41 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.112 2.565 . . . . 0.0 104.38 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -110.82 99.9 8.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -168.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -92.87 138.05 31.83 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 m -97.57 125.18 42.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -139.21 157.63 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 122.215 1.007 . . . . 0.0 110.611 -169.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -105.54 122.36 45.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.75 135.75 24.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -93.7 -25.21 17.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.937 0.495 . . . . 0.0 110.503 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.63 176.74 32.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 -178.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.7 mmm -61.46 148.57 41.42 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.07 166.89 11.08 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.21 0.604 . . . . 0.0 110.501 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.17 155.41 9.13 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.049 2.5 . . . . 0.0 112.834 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.01 -32.44 67.93 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.251 0.62 . . . . 0.0 111.613 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.6 -27.46 66.93 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.104 0.562 . . . . 0.0 112.054 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.05 -40.78 26.99 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 171.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.0 m -78.22 8.21 5.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.687 0.795 . . . . 0.0 112.834 -172.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -21.95 59.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.629 1.971 . . . . 0.0 111.168 -176.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -124.85 -27.54 3.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.391 0.677 . . . . 0.0 112.72 -172.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -160.41 162.18 33.21 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.93 130.17 35.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.474 1.034 . . . . 0.0 108.973 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -137.12 158.38 44.57 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.895 0.878 . . . . 0.0 110.331 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.22 141.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 125.701 1.6 . . . . 0.0 107.596 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.41 135.03 37.33 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.0 m -141.07 149.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.84 129.08 49.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.34 138.69 57.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.0 mt . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 124.57 1.148 . . . . 0.0 108.855 177.707 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 121.774 0.797 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -142.02 -177.6 5.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.205 2.202 . . . . 0.0 108.346 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 m -129.84 136.89 50.09 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.52 48.06 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.256 1.423 . . . . 0.0 108.181 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -71.52 135.72 47.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 170.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.96 -28.52 67.72 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 169.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -61.55 -11.66 12.05 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.986 2.115 . . . . 0.0 113.815 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.7 16.81 4.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.573 1.149 . . . . 0.0 110.06 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.26 146.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -132.6 105.06 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.62 150.05 49.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 110.332 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.2 mt -118.75 132.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.45 39.49 9.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.028 1.731 . . . . 0.0 113.124 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.436 HG21 HG21 ' A' ' 109' ' ' THR . 2.7 p -96.43 171.41 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.626 0.77 . . . . 0.0 110.434 -174.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.13 159.11 26.9 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.055 0.931 . . . . 0.0 110.648 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.83 -41.07 95.05 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.379 1.071 . . . . 0.0 110.822 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -74.18 -28.98 61.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.365 0.529 . . . . 0.0 110.7 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.436 HG21 HG21 ' A' ' 105' ' ' VAL . 32.7 m -69.63 -47.45 63.39 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.23 -44.53 97.12 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.81 -44.33 94.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.34 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.04 99.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.251 0.932 . . . . 0.0 111.5 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.94 -50.47 74.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.69 82.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.194 0.598 . . . . 0.0 109.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.576 1.151 . . . . 0.0 111.364 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -66.3 -43.0 87.5 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.718 0.407 . . . . 0.0 110.654 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.07 -35.56 80.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.696 0.68 . . . . 0.0 111.277 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.93 -39.15 83.55 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 119.189 0.904 . . . . 0.0 110.864 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -63.01 -43.66 98.15 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.58 -49.83 69.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 109.966 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.47 -25.79 65.16 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.209 1.004 . . . . 0.0 112.982 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? . . . . . 0 N--CA 1.467 0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 111.926 -177.275 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.28 -36.84 82.39 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -98.66 -10.99 22.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -169.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.0 -18.84 0.5 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 mt -91.13 -47.5 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 120.987 1.721 . . . . 0.0 109.876 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.43 14.25 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.838 0.855 . . . . 0.0 112.165 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.87 -35.08 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.235 1.014 . . . . 0.0 112.739 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.98 -8.36 54.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.972 0.909 . . . . 0.0 112.152 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 173.85 11.15 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.292 0.637 . . . . 0.0 111.92 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.33 -45.53 0.15 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.091 0.956 . . . . 0.0 110.061 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -138.89 173.31 11.7 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.3 1.44 . . . . 0.0 108.82 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -44.72 -45.13 9.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.209 2.204 . . . . 0.0 115.009 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.6 -41.37 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -68.4 -33.66 74.63 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.217 0.607 . . . . 0.0 110.332 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.75 -44.51 77.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.56 93.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.243 0.474 . . . . 0.0 110.624 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.1 mmt -64.75 -36.41 84.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.331 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.46 -52.68 51.39 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -56.37 -48.2 77.32 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.57 0.348 . . . . 0.0 111.443 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -60.76 -48.98 79.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.922 0.489 . . . . 0.0 110.755 -176.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -66.97 -39.69 87.26 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.504 0.593 . . . . 0.0 110.585 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.57 -47.39 81.73 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.265 0.484 . . . . 0.0 110.312 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.96 -42.76 94.32 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 123.156 0.582 . . . . 0.0 109.635 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.6 -33.44 72.75 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.718 0.69 . . . . 0.0 111.71 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -80.44 -22.08 41.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.155 0.582 . . . . 0.0 112.448 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -100.91 -45.46 5.43 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.0 127.41 32.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.632 0.773 . . . . 0.0 109.354 -169.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.15 43.43 0.87 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.383 1.473 . . . . 0.0 110.378 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -63.44 158.0 60.99 Favored Pre-proline 0 CA--C 1.547 0.828 0 O-C-N 121.042 -1.036 . . . . 0.0 110.264 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -65.75 144.93 66.4 Favored 'Cis proline' 0 C--N 1.348 0.53 0 CA-C-N 119.845 0.98 . . . . 0.0 110.887 -7.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -146.98 161.38 40.91 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -84.67 147.05 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.02 169.63 33.13 Favored Glycine 0 N--CA 1.45 -0.383 0 O-C-N 121.41 -0.806 . . . . 0.0 111.652 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -97.44 128.92 44.63 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 169.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -89.08 106.85 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -80.83 76.12 7.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 169.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.2 tttt . . . . . 0 C--N 1.332 -0.188 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.374 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 mm . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -136.45 105.98 6.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -76.29 134.56 39.73 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.258 0.623 . . . . 0.0 109.965 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -126.79 154.31 44.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.4 m -104.71 125.75 51.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.32 160.36 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.843 0.83 . . . . 0.0 110.323 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -108.89 120.04 41.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -79.66 136.96 22.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.08 -25.47 15.88 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.748 0.419 . . . . 0.0 111.033 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.74 171.9 28.43 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 108.743 -1.743 . . . . 0.0 108.743 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.2 mtp -66.09 152.43 44.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.87 164.22 18.18 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 123.409 0.684 . . . . 0.0 110.072 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -64.31 160.85 36.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.077 1.851 . . . . 0.0 111.589 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -26.77 49.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.906 1.282 . . . . 0.0 113.288 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.5 -31.37 72.51 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.759 0.824 . . . . 0.0 111.747 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -82.41 -46.99 12.8 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.2 m -69.84 12.12 0.23 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -169.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.95 -7.52 57.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.611 1.564 . . . . 0.0 111.398 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -118.89 -34.26 3.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.115 0.966 . . . . 0.0 112.733 -169.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -163.5 174.31 12.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 128.023 2.529 . . . . 0.0 104.25 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.4 mmt -88.74 138.41 31.45 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 169.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -139.37 158.31 44.37 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.986 -174.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 m -142.38 142.49 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.579 1.551 . . . . 0.0 108.18 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -80.09 135.85 36.42 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.14 148.61 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 123.218 0.607 . . . . 0.0 109.914 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.47 132.06 55.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -85.21 90.36 7.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -169.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 125.274 1.43 . . . . 0.0 108.953 -178.745 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 121.603 0.716 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -133.68 -177.42 4.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.608 2.363 . . . . 0.0 108.271 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -127.58 139.72 52.58 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.18 157.99 40.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 107.532 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -76.51 142.87 40.75 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.985 -1.858 . . . . 0.0 105.985 169.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.0 -30.01 70.04 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 168.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -58.37 -18.65 29.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.827 2.051 . . . . 0.0 113.733 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.95 6.26 19.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.262 1.425 . . . . 0.0 110.344 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.5 mm -112.36 146.17 17.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.779 -1.201 . . . . 0.0 108.661 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -130.54 102.58 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 150.39 48.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 0.0 110.653 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -122.32 133.17 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 49.93 41.84 23.47 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.837 1.655 . . . . 0.0 113.468 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.71 174.25 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.488 0.715 . . . . 0.0 110.817 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.17 163.35 26.54 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.74 0.781 . . . . 0.0 110.3 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.4 -37.96 82.45 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.965 1.306 . . . . 0.0 110.839 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -72.24 -32.67 66.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.031 0.832 . . . . 0.0 111.0 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.7 m -69.77 -48.65 58.46 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -64.57 -33.98 77.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.197 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.44 -48.06 76.75 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 123.953 0.901 . . . . 0.0 110.539 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.17 86.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.522 0.601 . . . . 0.0 110.765 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.62 -52.54 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.79 89.17 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.352 0.524 . . . . 0.0 110.31 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.51 -39.22 90.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.329 1.052 . . . . 0.0 110.793 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -65.05 -44.43 89.05 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.028 0.531 . . . . 0.0 110.502 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.5 -31.85 73.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.29 -35.8 63.74 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.814 1.188 . . . . 0.0 111.344 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -63.63 -41.63 98.23 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.417 -0.802 . . . . 0.0 110.159 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.34 -52.85 62.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.195 0.998 . . . . 0.0 110.47 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.47 59.16 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.33 1.052 . . . . 0.0 112.516 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.16 -38.38 88.82 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.092 0.957 . . . . 0.0 112.17 -172.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.1 p -105.64 -3.72 21.91 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -135.85 -19.5 1.56 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.015 0.825 . . . . 0.0 112.985 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt -117.09 -49.91 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.347 0.976 . . . . 0.0 109.566 -172.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -116.27 13.84 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.617 0.767 . . . . 0.0 111.917 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.2 -35.63 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.532 1.133 . . . . 0.0 112.532 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.17 -14.71 46.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.215 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.58 168.45 15.35 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.89 0.876 . . . . 0.0 111.584 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -147.86 -37.79 0.19 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.921 0.888 . . . . 0.0 109.978 169.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -114.11 170.17 8.48 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.455 1.025 . . . . 0.0 110.099 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -55.88 -42.08 75.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.569 1.147 . . . . 0.0 112.008 -169.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.6 -41.42 79.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.594 0.757 . . . . 0.0 110.389 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -62.27 -45.43 93.3 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.94 93.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -62.41 -37.67 86.71 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 118.648 -0.692 . . . . 0.0 112.212 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.42 67.89 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.356 0.98 . . . . 0.0 110.75 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -57.33 -46.4 83.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.731 0.413 . . . . 0.0 111.013 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -61.99 -48.28 81.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.88 0.872 . . . . 0.0 111.079 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -63.41 -42.78 98.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.558 0.617 . . . . 0.0 110.071 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.44 -46.58 82.54 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.658 0.208 . . . . 0.0 110.572 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.57 -43.77 84.07 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.927 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.63 -33.6 71.73 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.647 0.658 . . . . 0.0 111.946 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.92 -22.65 45.5 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -100.64 -45.48 5.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.5 mt -67.69 127.39 32.6 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.54 46.45 1.3 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 110.24 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 24.5 p90 -64.86 160.76 52.36 Favored Pre-proline 0 CA--C 1.546 0.805 0 O-C-N 121.245 -0.909 . . . . 0.0 111.003 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.57 142.02 24.18 Favored 'Cis proline' 0 C--N 1.35 0.643 0 CA-C-N 119.903 1.001 . . . . 0.0 111.52 -10.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -144.45 160.58 40.84 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 118.318 0.508 . . . . 0.0 109.827 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ttt -88.93 145.53 25.47 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.535 -0.728 . . . . 0.0 109.089 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.4 171.23 33.5 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 121.567 -0.708 . . . . 0.0 111.351 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -99.81 122.51 42.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.08 108.29 14.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 102.463 -3.162 . . . . 0.0 102.463 168.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -90.07 64.33 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm . . . . . 0 N--CA 1.451 -0.396 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.492 -169.785 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.79 98.27 11.51 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.68 131.34 45.41 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 121.416 -0.802 . . . . 0.0 108.979 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -137.05 135.82 37.87 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -93.64 126.29 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 m -139.17 156.32 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 122.131 0.967 . . . . 0.0 110.882 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -105.53 117.45 34.04 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -78.27 138.8 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.88 -24.12 14.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.041 0.536 . . . . 0.0 110.997 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.456 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.05 173.38 30.64 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 91.7 mmm -62.31 147.71 47.33 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 169.16 9.23 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.519 0.728 . . . . 0.0 110.373 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -52.49 155.46 9.91 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.078 2.519 . . . . 0.0 113.282 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.99 -29.13 65.01 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.808 0.843 . . . . 0.0 111.858 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.24 -29.88 70.71 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.266 0.626 . . . . 0.0 111.651 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -79.92 -47.04 15.68 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 171.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.2 m -71.52 13.48 0.25 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.35 -9.77 57.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.468 1.507 . . . . 0.0 111.797 170.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.75 -38.03 3.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.802 0.841 . . . . 0.0 112.164 -169.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -155.64 175.22 14.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -87.45 134.3 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -134.35 156.37 48.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 109.775 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.76 141.03 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 125.594 1.558 . . . . 0.0 107.692 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.87 135.68 37.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 169.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.41 150.61 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 123.347 0.659 . . . . 0.0 109.694 -175.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.05 140.38 51.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -71.96 127.61 33.11 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.791 0.436 . . . . 0.0 110.79 -176.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 0.0 109.352 175.279 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.0 t . . . . . 0 CA--C 1.536 0.432 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -138.62 179.72 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.491 1.916 . . . . 0.0 108.778 -169.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.8 m -129.35 138.58 51.62 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.88 154.44 49.2 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.331 1.452 . . . . 0.0 107.556 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -72.43 143.04 48.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.93 -29.49 69.65 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 168.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 m -60.88 -13.49 16.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.57 1.948 . . . . 0.0 113.734 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.43 6.0 18.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.23 1.412 . . . . 0.0 110.497 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.54 151.29 20.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.665 1.586 . . . . 0.0 108.776 -169.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -133.2 111.43 10.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.76 50.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.068 0.461 . . . . 0.0 110.012 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.8 mt -118.42 132.41 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.02 39.65 8.12 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.044 1.737 . . . . 0.0 112.994 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 109' ' ' THR . 2.7 p -93.28 170.82 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.606 0.762 . . . . 0.0 110.492 -172.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -66.15 159.33 26.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 122.19 0.995 . . . . 0.0 110.554 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.672 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.05 -29.44 61.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 0.513 . . . . 0.0 110.632 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.462 HG21 HG21 ' A' ' 105' ' ' VAL . 33.1 m -67.43 -49.74 62.41 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 173.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.79 -35.02 79.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.97 -0.538 . . . . 0.0 111.243 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.49 -43.09 86.32 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.811 0.732 . . . . 0.0 110.897 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.49 96.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.925 0.784 . . . . 0.0 110.961 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mt -62.97 -50.49 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.4 91.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.505 0.593 . . . . 0.0 110.368 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.33 -38.74 92.09 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.197 0.599 . . . . 0.0 111.888 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.88 -40.52 95.24 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.443 0.297 . . . . 0.0 110.554 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.0 mt -66.76 -35.39 79.98 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.892 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.94 -46.84 89.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.462 1.028 . . . . 0.0 109.629 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -61.91 -42.98 99.71 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.026 -0.421 . . . . 0.0 111.211 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.02 -46.51 88.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.402 0.681 . . . . 0.0 109.91 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.48 -16.55 63.48 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.746 0.818 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 118.726 0.694 . . . . 0.0 112.282 -171.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.234 0.266 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.01 -41.18 96.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.61 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.9 p -94.88 -6.94 41.53 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -139.24 -19.57 0.97 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.3 mt -117.49 -44.1 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 119.565 1.075 . . . . 0.0 109.817 -170.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 pt -118.28 14.28 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.594 0.758 . . . . 0.0 111.747 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.32 -35.2 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.431 1.092 . . . . 0.0 112.187 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -89.06 -10.47 47.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.932 0.893 . . . . 0.0 112.08 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 171.67 14.86 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.715 0.806 . . . . 0.0 111.664 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -138.79 -41.88 0.48 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.089 0.955 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -141.74 172.46 12.66 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 109.303 -175.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -38.67 20.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -169.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.18 -44.19 69.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -68.11 -34.79 77.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.018 0.527 . . . . 0.0 110.176 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -68.89 -42.17 77.29 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.56 93.56 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.102 0.41 . . . . 0.0 110.151 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -63.63 -38.21 90.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.968 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.25 -50.87 61.18 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 119.182 0.901 . . . . 0.0 111.013 175.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -57.55 -49.28 76.89 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.01 0.405 . . . . 0.0 111.167 174.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -60.04 -47.43 85.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.752 0.821 . . . . 0.0 110.9 -174.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.81 -43.96 87.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.305 0.502 . . . . 0.0 110.139 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -63.29 -45.1 92.98 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.663 0.385 . . . . 0.0 110.47 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.73 -46.07 76.65 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.855 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.05 -33.68 72.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.017 0.826 . . . . 0.0 112.027 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -75.98 -25.58 55.94 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.141 0.577 . . . . 0.0 112.379 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.1 m -96.83 -46.84 6.09 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.197 0.453 . . . . 0.0 111.636 -170.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.12 121.92 16.25 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -83.93 63.36 7.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.965 0.906 . . . . 0.0 109.971 -174.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -61.54 157.29 47.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.026 0.93 . . . . 0.0 112.36 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.89 151.54 95.83 Favored 'Cis proline' 0 C--N 1.349 0.559 0 N-CA-C 108.893 -1.234 . . . . 0.0 108.893 -10.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -141.43 158.35 43.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.433 0.561 . . . . 0.0 110.78 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.24 144.37 26.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.54 169.22 32.82 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -96.93 126.38 42.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.79 103.01 12.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 104.211 -2.514 . . . . 0.0 104.211 169.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -96.05 65.97 2.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 C--O 1.232 0.15 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.744 -173.015 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mm . . . . . 0 C--O 1.233 0.235 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.16 151.24 27.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 169.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -128.54 137.07 51.56 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.356 -0.84 . . . . 0.0 111.411 -169.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -136.11 142.78 44.31 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 168.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -95.51 126.61 40.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.34 156.37 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 122.26 1.029 . . . . 0.0 111.622 -169.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -105.73 117.84 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 169.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -82.88 142.03 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.45 -22.04 13.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.241 0.616 . . . . 0.0 111.602 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.65 175.64 31.88 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -63.5 153.1 36.61 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 169.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.67 169.36 6.55 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 122.948 0.499 . . . . 0.0 109.823 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.56 154.3 9.22 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.715 2.277 . . . . 0.0 112.592 170.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.52 -29.08 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.672 0.789 . . . . 0.0 111.999 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.84 -32.14 73.3 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.602 0.761 . . . . 0.0 111.906 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.43 -43.98 16.62 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 173.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.2 m -72.95 7.47 2.03 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.74 -12.35 51.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.569 1.548 . . . . 0.0 111.602 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -115.95 -38.84 3.56 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.573 0.749 . . . . 0.0 111.474 -169.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -159.76 172.77 17.09 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -82.47 136.33 34.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 121.064 1.756 . . . . 0.0 108.45 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -140.2 156.87 46.33 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.064 0.946 . . . . 0.0 109.75 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.8 m -140.2 142.76 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 125.503 1.521 . . . . 0.0 108.17 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.91 135.75 37.08 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.88 151.06 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.201 0.601 . . . . 0.0 110.057 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.92 139.79 52.8 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.52 127.51 32.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 122.883 0.473 . . . . 0.0 110.823 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 123.436 0.695 . . . . 0.0 109.38 175.162 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -137.89 179.82 6.2 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 126.438 1.895 . . . . 0.0 109.008 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 m -129.08 136.3 50.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 171.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.75 149.91 49.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 107.683 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -68.32 137.23 54.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 169.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.92 -27.97 68.59 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 169.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -60.88 -13.57 16.57 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.362 2.265 . . . . 0.0 113.243 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.38 11.89 8.72 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.578 1.551 . . . . 0.0 109.168 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.3 147.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 O-C-N 120.779 -1.2 . . . . 0.0 107.942 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -136.29 116.18 13.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.25 152.46 45.02 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.453 0.644 . . . . 0.0 110.259 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.48 131.49 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.35 37.92 9.53 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.292 1.837 . . . . 0.0 113.483 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.46 HG21 HG21 ' A' ' 109' ' ' THR . 1.6 p -94.21 169.72 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 121.748 -0.595 . . . . 0.0 110.882 -174.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.37 159.19 35.0 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 111.117 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.35 -37.35 72.44 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.799 0.84 . . . . 0.0 113.117 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.05 -39.16 56.15 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.373 0.988 . . . . 0.0 110.417 -174.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.46 HG21 HG21 ' A' ' 105' ' ' VAL . 28.5 m -60.38 -46.87 88.43 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.669 0.788 . . . . 0.0 109.412 170.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.0 -45.1 95.09 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.93 -41.08 97.53 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 118.97 0.804 . . . . 0.0 111.561 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.42 97.51 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.857 0.753 . . . . 0.0 111.383 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.21 -49.86 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.75 80.21 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.453 0.701 . . . . 0.0 109.841 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.34 -43.7 96.2 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.996 0.919 . . . . 0.0 112.08 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.77 -0.581 . . . . 0.0 110.165 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.63 -33.95 73.36 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.634 0.652 . . . . 0.0 111.449 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.92 -46.79 87.78 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 119.326 0.966 . . . . 0.0 109.792 173.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -63.86 -41.89 97.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.717 0.807 . . . . 0.0 109.253 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.19 -51.22 68.83 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.523 0.729 . . . . 0.0 109.58 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -25.66 68.07 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.971 1.308 . . . . 0.0 112.669 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 . . . . . 0 CA--C 1.533 0.3 0 C-N-CA 123.793 0.837 . . . . 0.0 113.135 -179.77 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.67 -34.93 78.95 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -170.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.6 p -107.55 2.24 23.93 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.17 -46.96 0.26 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.766 0.712 . . . . 0.0 112.566 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt -78.41 -45.98 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.46 1.027 . . . . 0.0 110.143 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.8 pt -122.41 14.01 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 112.011 -175.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.1 -34.99 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 O-C-N 121.439 -0.788 . . . . 0.0 112.172 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.31 -13.75 58.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.237 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.94 175.25 10.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.846 0.859 . . . . 0.0 111.817 -175.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -149.0 -47.24 0.14 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.229 1.011 . . . . 0.0 109.295 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -123.62 173.07 8.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.327 1.051 . . . . 0.0 109.442 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -52.11 -44.11 64.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.713 1.205 . . . . 0.0 113.348 -168.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.13 -39.31 82.74 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -70.26 -35.49 73.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.308 0.643 . . . . 0.0 110.327 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -66.46 -42.79 87.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.131 0.878 . . . . 0.0 109.57 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.77 94.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.589 0.355 . . . . 0.0 110.786 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.9 mmt -65.92 -35.7 81.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.753 -0.642 . . . . 0.0 112.326 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.95 59.95 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -57.7 -48.53 79.3 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 118.875 -0.584 . . . . 0.0 111.488 172.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.43 -53.56 56.77 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.843 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -72.51 -32.9 66.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.873 -0.584 . . . . 0.0 111.117 -174.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.03 -46.93 86.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.001 0.819 . . . . 0.0 110.092 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.39 -43.17 82.01 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.72 -32.85 70.91 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.831 0.741 . . . . 0.0 111.957 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.08 -22.08 39.48 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.7 m -100.36 -46.04 5.38 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.815 -0.553 . . . . 0.0 112.098 -169.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.36 123.18 20.52 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -170.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.56 51.57 2.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.607 0.763 . . . . 0.0 109.966 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -62.79 156.93 62.87 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 121.816 -0.552 . . . . 0.0 111.204 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -68.1 145.16 74.88 Favored 'Cis proline' 0 CA--C 1.536 0.583 0 CA-C-N 119.356 0.806 . . . . 0.0 111.473 -5.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -146.91 160.53 42.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.348 1.059 . . . . 0.0 108.969 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.44 143.64 26.86 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.143 -0.973 . . . . 0.0 109.411 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.97 167.9 31.76 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 119.407 1.003 . . . . 0.0 111.348 171.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -96.1 127.35 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.99 102.09 12.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -89.78 66.23 7.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 tttm . . . . . 0 C--N 1.333 -0.148 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -173.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.9 mm . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -112.24 153.06 27.7 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 169.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -128.24 127.04 42.09 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.24 -0.912 . . . . 0.0 109.598 -172.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -131.46 147.84 52.59 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -99.66 131.69 45.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.8 m -142.36 156.9 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 122.276 1.036 . . . . 0.0 110.911 -169.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.79 114.09 27.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 t -76.22 124.5 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.32 -31.99 12.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.208 0.603 . . . . 0.0 111.994 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.33 171.79 33.77 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.9 mmm -64.37 145.97 55.2 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.73 167.41 16.53 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.58 142.57 23.75 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.565 2.177 . . . . 0.0 112.739 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -59.33 -27.95 66.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.531 0.732 . . . . 0.0 111.438 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -62.05 -24.78 67.29 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -91.42 -24.09 19.83 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.889 -0.507 . . . . 0.0 110.776 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -83.63 24.81 0.83 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.963 0.905 . . . . 0.0 113.403 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -16.17 53.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.851 0.861 . . . . 0.0 112.969 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -130.16 -26.87 2.31 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -169.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.7 140.44 32.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 171.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -134.64 153.15 52.11 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.271 0.628 . . . . 0.0 109.513 -177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.36 141.86 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.671 1.188 . . . . 0.0 108.543 -174.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.99 140.2 38.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 171.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.9 m -142.62 151.45 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 122.996 0.518 . . . . 0.0 110.17 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.5 139.68 53.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.04 140.41 52.82 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.858 0.463 . . . . 0.0 111.861 -175.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.48 . . . . 0.0 108.856 172.515 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 C--O 1.235 0.333 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -135.92 179.14 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.407 1.883 . . . . 0.0 108.47 -172.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.42 137.12 50.72 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.96 155.06 43.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.18 1.392 . . . . 0.0 107.937 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.61 142.79 42.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.33 -28.65 69.36 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -57.9 -16.53 12.32 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.989 1.716 . . . . 0.0 114.286 171.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -119.65 10.94 11.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.031 1.332 . . . . 0.0 109.671 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -114.96 149.08 17.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 120.533 -1.354 . . . . 0.0 108.382 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 156.02 39.62 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.657 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -122.66 131.05 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.8 37.11 9.17 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.101 1.76 . . . . 0.0 113.541 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.492 HG21 HG21 ' A' ' 109' ' ' THR . 3.1 p -93.96 173.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.383 0.673 . . . . 0.0 110.641 -176.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.7 159.95 26.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 122.14 0.972 . . . . 0.0 110.565 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.44 -39.46 90.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.934 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -74.9 -34.34 62.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.505 0.593 . . . . 0.0 110.806 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.492 HG21 HG21 ' A' ' 105' ' ' VAL . 65.2 m -64.85 -48.72 73.31 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -65.97 -36.01 82.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.49 -176.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.83 -42.59 94.84 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 119.004 0.82 . . . . 0.0 111.18 176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.49 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.202 0.455 . . . . 0.0 110.607 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.53 -51.06 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.31 -49.91 74.61 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.157 0.583 . . . . 0.0 110.129 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.28 -31.44 72.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -68.27 -43.94 76.68 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.813 -0.555 . . . . 0.0 110.4 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.86 -36.61 84.9 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.371 -0.83 . . . . 0.0 110.168 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -66.3 -36.0 81.81 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.438 -0.789 . . . . 0.0 110.39 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -67.43 -41.76 84.28 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.351 -1.468 . . . . 0.0 110.098 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.99 -50.4 72.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.182 0.993 . . . . 0.0 109.802 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.74 68.53 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.62 176.153 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.05 -32.31 69.64 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.02 1.328 . . . . 0.0 112.313 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -105.93 7.43 32.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 112.751 -172.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.83 -50.22 0.4 Allowed 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.897 0.771 . . . . 0.0 111.893 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 mt -80.92 -46.66 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.0 pt -120.4 12.28 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 123.338 0.655 . . . . 0.0 112.354 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.94 -34.16 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 123.866 0.866 . . . . 0.0 112.117 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -88.83 -9.29 52.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.957 0.903 . . . . 0.0 112.127 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.69 172.34 13.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.385 0.674 . . . . 0.0 111.722 -175.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -152.58 -40.3 0.1 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.339 1.055 . . . . 0.0 110.186 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.35 173.01 11.72 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.95 1.3 . . . . 0.0 108.653 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.96 -39.52 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 125.863 1.665 . . . . 0.0 113.368 -172.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 -42.02 85.54 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -69.45 -35.27 75.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.969 -0.457 . . . . 0.0 110.352 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -67.14 -41.91 85.3 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.013 0.824 . . . . 0.0 109.971 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.51 97.79 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.461 0.573 . . . . 0.0 110.209 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -64.2 -38.65 91.81 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.686 -0.674 . . . . 0.0 112.296 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.83 62.0 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.234 0.924 . . . . 0.0 110.816 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.24 -47.35 85.69 Favored 'General case' 0 C--O 1.231 0.114 0 O-C-N 122.652 -0.322 . . . . 0.0 111.476 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.76 -48.96 79.6 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.524 0.73 . . . . 0.0 110.848 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.39 -41.9 93.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.18 0.445 . . . . 0.0 110.182 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.63 -46.6 84.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.026 0.375 . . . . 0.0 110.588 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.21 -44.72 87.38 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.01 0.524 . . . . 0.0 109.877 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.67 -33.3 71.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.413 0.551 . . . . 0.0 111.968 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.18 -22.35 45.09 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -100.44 -46.87 5.09 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.956 0.502 . . . . 0.0 112.336 -169.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.66 131.18 45.1 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -78.2 24.09 0.26 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.424 ' HA ' ' C ' ' A' ' 43' ' ' PRO . 23.6 p90 -52.44 155.73 3.49 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.28 1.032 . . . . 0.0 113.434 -169.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 42' ' ' PHE . 50.5 Cg_exo -56.53 141.85 17.82 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.562 0.879 . . . . 0.0 113.158 -9.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.57 153.73 42.11 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.3 ttt -84.79 145.44 27.88 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.6 -0.688 . . . . 0.0 109.367 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.77 172.88 34.47 Favored Glycine 0 N--CA 1.45 -0.419 0 O-C-N 121.463 -0.773 . . . . 0.0 112.04 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -102.48 124.51 48.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 169.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -81.48 106.69 13.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 169.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -93.14 64.34 3.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 N--CA 1.46 0.073 0 C-N-CA 123.984 0.914 . . . . 0.0 109.018 -176.048 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -136.5 139.78 42.54 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -112.16 132.02 55.13 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.731 0.413 . . . . 0.0 109.966 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.8 120.24 14.94 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -75.97 131.77 39.79 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.0 156.99 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 122.323 1.058 . . . . 0.0 111.023 -171.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -101.97 115.67 31.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.401 -2.815 . . . . 0.0 103.401 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -75.54 134.67 28.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 169.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -99.59 -19.38 16.88 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.35 0.66 . . . . 0.0 111.225 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.27 175.55 35.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -64.29 149.91 47.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.53 164.57 14.86 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.779 0.832 . . . . 0.0 110.764 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.92 151.87 68.48 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.132 1.888 . . . . 0.0 110.999 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.5 -28.29 59.45 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -169.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.18 -35.82 80.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.89 0.768 . . . . 0.0 111.241 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.78 -38.91 57.87 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.64 5.59 1.81 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.6 mt -91.57 -9.16 45.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.346 1.458 . . . . 0.0 111.322 169.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -115.37 -40.6 3.4 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.931 0.893 . . . . 0.0 111.133 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -158.69 173.52 16.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.703 2.401 . . . . 0.0 104.562 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.2 mmt -83.04 136.51 34.47 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 169.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.26 156.24 47.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.688 0.795 . . . . 0.0 109.768 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.7 142.21 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.406 1.482 . . . . 0.0 107.793 -176.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.6 135.19 38.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.99 148.04 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 123.262 0.625 . . . . 0.0 110.389 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.6 132.64 54.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.052 1.341 . . . . 0.0 107.807 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -81.36 89.55 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.44 1.096 . . . . 0.0 110.547 -172.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.9 mt . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.592 1.557 . . . . 0.0 109.795 179.64 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.707 0.765 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -138.58 -173.14 3.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.736 2.415 . . . . 0.0 107.751 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 m -129.45 139.29 51.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.24 152.34 48.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.596 1.558 . . . . 0.0 108.053 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.61 135.82 48.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.03 -28.11 69.36 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.2 m -63.31 -9.45 11.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.183 1.793 . . . . 0.0 113.469 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.17 11.69 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.429 1.492 . . . . 0.0 109.416 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -113.09 147.71 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 120.643 -1.286 . . . . 0.0 108.856 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -129.88 112.5 13.62 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.23 50.7 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.9 mt -115.83 132.26 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.35 39.96 9.88 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.019 1.727 . . . . 0.0 113.079 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG21 HG21 ' A' ' 109' ' ' THR . 1.2 p -95.47 165.51 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.56 0.744 . . . . 0.0 110.383 -173.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.66 159.21 25.4 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 122.529 1.157 . . . . 0.0 110.929 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.9 -43.28 81.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.185 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -76.36 -30.97 57.79 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.682 0.674 . . . . 0.0 110.78 -174.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.415 HG21 HG21 ' A' ' 105' ' ' VAL . 90.8 m -66.45 -48.94 68.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -63.72 -39.19 93.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.051 -0.5 . . . . 0.0 111.039 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.36 -42.85 92.36 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 118.585 -0.722 . . . . 0.0 110.835 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.93 96.78 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.28 0.946 . . . . 0.0 111.249 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.77 -53.01 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.79 82.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.395 0.278 . . . . 0.0 110.725 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.97 -38.22 87.99 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.738 0.815 . . . . 0.0 112.038 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -63.42 -42.58 98.72 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.494 0.318 . . . . 0.0 110.193 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.11 -30.24 70.71 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.056 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -65.08 -47.71 76.29 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 120.037 1.29 . . . . 0.0 110.049 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -60.16 -40.02 88.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.227 0.611 . . . . 0.0 110.868 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.53 -51.5 67.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.565 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -25.53 67.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.755 0.822 . . . . 0.0 112.014 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 C-N-CA 124.018 0.927 . . . . 0.0 113.227 174.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.48 -41.88 92.84 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.199 0.6 . . . . 0.0 111.999 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 p -90.83 2.49 56.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -145.15 -64.21 0.34 Allowed 'General case' 0 C--N 1.338 0.094 0 CA-C-N 118.67 0.668 . . . . 0.0 111.617 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.03 -41.3 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.37 0.532 . . . . 0.0 111.749 -169.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 pt -124.48 15.31 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 118.893 0.769 . . . . 0.0 112.426 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.59 -34.47 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.548 -0.72 . . . . 0.0 112.42 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -87.0 -11.88 49.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.04 0.936 . . . . 0.0 112.155 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.1 171.75 14.54 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.827 0.851 . . . . 0.0 111.7 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -140.35 -46.0 0.42 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.57 172.53 12.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.596 1.159 . . . . 0.0 109.387 -173.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -48.91 -41.28 33.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.322 1.449 . . . . 0.0 114.489 -169.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.39 -43.6 73.18 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.98 -35.75 77.08 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.003 0.521 . . . . 0.0 110.115 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -69.57 -42.32 74.68 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 121.639 -0.663 . . . . 0.0 109.663 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.53 91.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.152 0.433 . . . . 0.0 110.326 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -66.99 -36.55 82.42 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.598 0.636 . . . . 0.0 112.184 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.52 -53.08 47.81 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 173.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -54.42 -48.7 71.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.006 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.08 -53.71 55.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.065 0.546 . . . . 0.0 111.199 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -74.62 -32.6 62.37 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 112.044 -169.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -68.77 -40.22 79.83 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 119.503 1.047 . . . . 0.0 110.65 173.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.3 -42.14 96.52 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.274 175.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.46 -33.33 71.16 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.858 0.754 . . . . 0.0 111.791 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.74 -21.83 44.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.287 0.635 . . . . 0.0 112.686 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.4 m -100.84 -45.97 5.28 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.298 0.639 . . . . 0.0 112.627 -169.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.07 127.19 32.23 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -169.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -83.54 44.1 0.95 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.189 1.395 . . . . 0.0 110.467 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -63.21 156.39 69.1 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.09 -1.006 . . . . 0.0 110.245 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.81 142.93 58.25 Favored 'Cis proline' 0 C--N 1.348 0.535 0 CA-C-N 119.805 0.966 . . . . 0.0 111.03 -6.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -145.66 164.89 30.35 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.8 ttt -92.69 146.05 23.95 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.399 -0.813 . . . . 0.0 109.01 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.38 172.28 34.16 Favored Glycine 0 C--N 1.333 0.366 0 O-C-N 121.416 -0.802 . . . . 0.0 112.148 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -99.6 124.79 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -82.84 103.49 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -86.91 61.79 7.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.319 1.848 . . . . 0.0 107.044 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--O 1.231 0.114 0 C-N-CA 124.83 1.252 . . . . 0.0 109.585 -173.546 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.9 mm . . . . . 0 CA--C 1.534 0.354 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -137.46 150.35 47.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -122.34 129.45 52.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.657 0.662 . . . . 0.0 110.001 -169.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -129.86 144.36 51.27 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 169.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.1 m -90.61 126.29 35.91 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 m -137.44 159.6 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.836 0.827 . . . . 0.0 109.619 -169.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.56 120.25 41.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -81.16 137.67 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.81 -23.69 16.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.841 0.457 . . . . 0.0 110.988 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.5 169.99 24.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.762 -1.735 . . . . 0.0 108.762 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.8 mtp -65.83 149.42 50.21 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 169.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.43 167.01 14.13 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 123.417 0.687 . . . . 0.0 109.875 171.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.44 146.78 31.65 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.785 2.323 . . . . 0.0 112.522 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -58.95 -27.1 65.01 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.623 0.769 . . . . 0.0 111.917 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.0 -23.14 63.41 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 0.0 113.216 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.3 -5.38 12.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.707 0.803 . . . . 0.0 112.002 177.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -92.62 24.4 3.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.365 0.666 . . . . 0.0 112.097 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 mt -83.6 -3.73 57.96 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.063 0.945 . . . . 0.0 112.346 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -132.33 -24.27 2.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.968 0.907 . . . . 0.0 112.695 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -162.18 149.39 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -174.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.02 146.63 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.318 0.963 . . . . 0.0 109.191 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -138.36 158.41 44.33 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.712 0.805 . . . . 0.0 110.603 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.19 141.9 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.902 1.681 . . . . 0.0 107.929 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.64 136.83 36.92 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 169.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.75 150.36 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.179 0.591 . . . . 0.0 109.524 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.08 130.44 55.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -86.21 90.6 8.2 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.267 0.627 . . . . 0.0 110.597 -169.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.7 mt . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 124.228 1.011 . . . . 0.0 108.926 176.145 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.236 0.357 0 CA-C-O 122.021 0.915 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -142.02 179.84 6.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 127.219 2.208 . . . . 0.0 107.477 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 m -129.68 139.62 51.33 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.32 152.11 50.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.423 1.489 . . . . 0.0 107.439 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 142.82 45.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 169.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.63 -29.26 66.39 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 170.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.0 m -60.24 -14.09 15.99 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.716 1.606 . . . . 0.0 113.96 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -116.99 12.47 14.61 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.682 1.193 . . . . 0.0 109.764 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.95 144.74 20.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 O-C-N 120.403 -1.436 . . . . 0.0 108.721 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -131.37 109.94 10.7 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 172.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.28 149.76 49.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.241 0.543 . . . . 0.0 110.206 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.7 mt -118.43 132.75 67.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.73 39.27 9.97 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.024 1.729 . . . . 0.0 113.236 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -95.59 171.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.605 0.762 . . . . 0.0 110.221 -175.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 158.9 27.12 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 122.438 1.113 . . . . 0.0 110.968 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.43 -42.32 87.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.338 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.11 -27.77 54.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.469 0.577 . . . . 0.0 110.705 -175.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.438 HG21 HG21 ' A' ' 105' ' ' VAL . 39.2 m -68.64 -47.06 67.55 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 172.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -46.45 88.6 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.32 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.86 98.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.859 0.754 . . . . 0.0 111.414 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.44 -49.07 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.44 83.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.448 0.567 . . . . 0.0 110.127 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.64 -41.56 90.79 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.886 0.875 . . . . 0.0 111.751 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -69.2 -42.74 75.39 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.994 0.518 . . . . 0.0 110.57 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.41 -30.86 71.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.974 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.22 -50.64 67.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 119.474 1.034 . . . . 0.0 109.639 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -58.22 -39.1 78.18 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.09 0.859 . . . . 0.0 111.151 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.44 -55.56 32.02 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.253 -0.904 . . . . 0.0 110.198 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.2 66.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.832 0.853 . . . . 0.0 112.481 -177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.32 1.048 . . . . 0.0 110.924 175.15 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 mt . . . . . 0 C--O 1.234 0.272 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.45 -36.43 80.37 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.487 0.715 . . . . 0.0 112.049 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 p -101.96 -12.7 18.0 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -169.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -133.76 -14.22 2.48 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -172.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.03 -47.49 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.822 1.192 . . . . 0.0 109.914 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 pt -116.64 14.41 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.62 0.768 . . . . 0.0 111.701 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.31 -34.98 34.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.278 1.031 . . . . 0.0 112.046 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.76 -10.25 51.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.956 0.902 . . . . 0.0 112.101 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.02 10.71 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.704 0.802 . . . . 0.0 111.525 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -148.46 -43.91 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.104 0.962 . . . . 0.0 109.776 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -129.25 169.72 14.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.751 1.22 . . . . 0.0 108.725 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -51.78 -39.21 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.994 1.718 . . . . 0.0 114.619 -169.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.42 -42.41 83.26 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -69.2 -33.55 73.51 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.149 0.58 . . . . 0.0 110.331 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -68.04 -42.82 79.97 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.58 -0.7 . . . . 0.0 109.355 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.85 95.23 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.588 0.355 . . . . 0.0 110.57 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.8 mmt -64.99 -39.21 93.13 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.594 0.634 . . . . 0.0 112.209 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -49.91 68.94 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -57.95 -49.1 77.94 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.429 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.58 -52.93 63.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.521 0.329 . . . . 0.0 110.743 -174.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.79 -31.04 64.57 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.909 -0.567 . . . . 0.0 111.583 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -63.65 -46.31 86.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.175 0.898 . . . . 0.0 110.238 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.48 -42.95 86.7 Favored 'General case' 0 N--CA 1.458 -0.059 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.669 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.72 -35.23 75.81 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.566 0.621 . . . . 0.0 111.565 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.39 -24.58 57.22 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -98.25 -46.57 5.77 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -169.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -67.26 128.58 36.91 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.801 0.84 . . . . 0.0 110.056 -169.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -78.81 20.8 0.44 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.254 1.422 . . . . 0.0 114.248 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 20.2 p90 -53.49 153.31 7.66 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -169.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.73 147.54 46.24 Favored 'Cis proline' 0 C--N 1.352 0.746 0 CA-C-N 119.445 0.838 . . . . 0.0 113.768 -7.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -149.75 164.01 36.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.524 1.13 . . . . 0.0 109.324 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -90.95 145.97 24.27 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.936 -1.103 . . . . 0.0 109.865 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.22 168.78 33.13 Favored Glycine 0 C--N 1.335 0.526 0 O-C-N 121.097 -1.002 . . . . 0.0 111.472 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -97.62 125.75 42.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.247 -1.761 . . . . 0.0 106.247 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -84.65 103.02 13.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 169.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -84.81 65.93 9.39 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.481 1.512 . . . . 0.0 107.228 171.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt . . . . . 0 CA--C 1.527 0.091 0 C-N-CA 123.665 0.786 . . . . 0.0 109.375 -176.274 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.7 mm . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.86 151.3 50.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 169.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -121.99 121.85 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.898 -0.501 . . . . 0.0 110.141 -169.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -122.79 142.57 50.59 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -96.49 122.86 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.9 m -136.82 157.23 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 122.228 1.013 . . . . 0.0 111.139 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -103.18 116.81 33.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.22 113.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 171.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.08 -31.93 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.958 0.503 . . . . 0.0 110.786 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 169.56 176.89 39.73 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.146 -1.581 . . . . 0.0 109.146 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mtp -64.63 149.82 48.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 170.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.22 166.96 11.22 Favored Pre-proline 0 CA--C 1.543 0.674 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 147.29 14.53 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.424 2.083 . . . . 0.0 111.98 171.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.29 -30.62 64.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.039 0.536 . . . . 0.0 111.266 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.18 -26.58 68.22 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.054 0.942 . . . . 0.0 112.691 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -79.0 -33.41 44.99 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.8 -0.563 . . . . 0.0 109.921 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.64 28.1 0.49 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.716 1.206 . . . . 0.0 113.511 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.93 -16.51 40.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.111 0.965 . . . . 0.0 113.238 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -132.65 -21.01 2.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -154.71 170.97 20.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.1 mmt -93.52 139.93 30.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.43 156.98 47.61 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.019 0.527 . . . . 0.0 109.816 -175.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.82 140.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.872 1.269 . . . . 0.0 108.487 -173.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.27 133.38 36.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.38 147.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.38 123.49 44.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -75.99 109.35 9.56 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 124.736 1.214 . . . . 0.0 109.911 -173.502 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 CA--C 1.535 0.39 0 CA-C-O 121.651 0.739 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.89 -178.08 4.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.971 2.509 . . . . 0.0 107.866 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -127.8 138.89 52.88 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.83 159.47 35.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 108.316 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 140.51 39.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 169.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.83 -28.79 70.1 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 168.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.9 m -61.63 -7.28 3.18 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.124 1.769 . . . . 0.0 113.711 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.21 9.03 10.36 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.016 1.326 . . . . 0.0 109.736 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.84 147.22 17.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 O-C-N 120.532 -1.355 . . . . 0.0 109.283 -173.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.81 107.84 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 153.31 44.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.421 0.629 . . . . 0.0 110.686 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.6 mt -122.43 131.81 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.306 1.442 . . . . 0.0 107.122 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.6 t70 51.11 36.84 16.52 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.832 1.653 . . . . 0.0 113.984 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.8 m -89.17 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 121.565 -0.709 . . . . 0.0 110.389 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.57 164.74 24.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.182 0.991 . . . . 0.0 110.01 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.08 -35.42 73.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.844 1.258 . . . . 0.0 111.145 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.36 -41.97 69.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.214 0.915 . . . . 0.0 111.022 -174.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.9 m -64.04 -47.66 79.34 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -63.0 -37.16 86.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.228 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.92 -41.99 81.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.826 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.9 86.54 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.269 0.941 . . . . 0.0 110.658 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.44 -53.32 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.655 0.782 . . . . 0.0 109.281 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.39 86.13 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.669 0.387 . . . . 0.0 110.55 -175.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.14 -38.43 76.54 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.168 1.387 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -67.83 -42.05 82.05 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.069 0.548 . . . . 0.0 110.9 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.12 -32.38 73.47 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.565 -0.709 . . . . 0.0 111.193 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -67.29 -40.9 86.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.368 0.985 . . . . 0.0 110.179 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -37.51 84.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 120.05 1.295 . . . . 0.0 111.957 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.7 tp -59.73 -47.05 87.22 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.555 0.742 . . . . 0.0 109.339 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 172.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.529 0 C-N-CA 125.104 1.362 . . . . 0.0 111.185 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 CA--C 1.535 0.368 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.28 -41.13 96.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.932 -175.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.0 p -99.28 -9.58 23.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.514 1.052 . . . . 0.0 113.613 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -126.17 -18.84 4.88 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.549 1.068 . . . . 0.0 113.021 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -114.73 -46.94 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.836 1.198 . . . . 0.0 109.861 -172.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -122.21 15.47 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.308 0.643 . . . . 0.0 112.462 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.06 -36.47 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 124.691 1.196 . . . . 0.0 113.043 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.03 -7.94 47.38 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.716 0.807 . . . . 0.0 111.811 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.06 161.16 29.11 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.652 -0.655 . . . . 0.0 111.813 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.42 -24.27 0.24 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.124 0.97 . . . . 0.0 112.383 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -149.73 175.64 11.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.751 1.22 . . . . 0.0 108.877 -174.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 28' ' ' ARG . 16.7 ptpt -56.02 -38.57 70.69 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.52 1.128 . . . . 0.0 113.385 -172.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.84 -44.36 70.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.37 -37.64 77.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.134 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -69.86 -39.48 76.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.772 1.169 . . . . 0.0 109.549 -178.538 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.37 86.38 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 119.29 -0.386 . . . . 0.0 110.823 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -62.35 -37.13 84.46 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.658 0.663 . . . . 0.0 111.362 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.94 60.11 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 118.996 0.816 . . . . 0.0 111.394 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -56.11 -50.87 69.85 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.433 0.617 . . . . 0.0 109.869 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.59 -49.71 72.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.781 1.232 . . . . 0.0 110.954 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.9 -41.33 95.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.158 0.435 . . . . 0.0 110.118 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -65.08 -45.8 83.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.108 0.413 . . . . 0.0 110.444 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.35 -46.04 81.79 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 122.985 0.514 . . . . 0.0 109.734 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.68 -34.56 73.02 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.131 0.572 . . . . 0.0 111.954 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.41 -24.33 54.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.164 0.585 . . . . 0.0 112.406 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -96.53 -46.35 6.38 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.892 0.477 . . . . 0.0 111.481 -170.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.91 121.52 15.69 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -171.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -84.78 53.43 2.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.725 0.81 . . . . 0.0 109.813 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -64.78 159.82 59.39 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.34 0.656 . . . . 0.0 111.698 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.92 142.26 25.79 Favored 'Cis proline' 0 C--N 1.351 0.704 0 CA-C-N 119.615 0.898 . . . . 0.0 112.348 -10.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -146.43 161.71 39.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.845 0.858 . . . . 0.0 109.305 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.5 ttt -95.44 146.91 24.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.093 -1.005 . . . . 0.0 110.551 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.52 170.35 34.02 Favored Glycine 0 C--N 1.335 0.477 0 O-C-N 121.451 -0.781 . . . . 0.0 111.46 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -99.47 126.66 45.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.93 103.39 11.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.86 62.79 2.69 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.6 tttt . . . . . 0 CA--C 1.524 -0.048 0 C-N-CA 124.455 1.102 . . . . 0.0 109.07 -173.325 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.97 150.94 51.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.91 134.5 52.65 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.691 -0.631 . . . . 0.0 111.161 -168.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -140.91 139.6 34.37 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 169.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -91.97 129.99 37.81 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -142.39 154.67 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 122.418 1.104 . . . . 0.0 111.367 -169.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -98.92 118.61 36.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 168.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.82 115.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.43 -29.34 41.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.157 0.583 . . . . 0.0 110.682 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.17 179.25 39.49 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.2 148.39 48.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.34 164.04 47.16 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 123.209 0.604 . . . . 0.0 110.626 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -51.27 152.82 10.7 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.362 2.708 . . . . 0.0 113.088 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.7 -30.63 56.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.312 1.045 . . . . 0.0 112.686 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.1 -32.25 72.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.485 0.714 . . . . 0.0 112.116 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.06 -41.01 13.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.5 m -70.01 9.03 0.61 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.8 mt -92.54 -14.85 27.75 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.599 1.56 . . . . 0.0 111.209 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -106.43 -42.29 5.06 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 111.096 -168.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -158.12 176.31 12.66 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 128.302 2.641 . . . . 0.0 104.157 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.6 mmt -84.99 135.11 34.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 120.172 1.351 . . . . 0.0 108.384 169.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -137.04 157.25 47.13 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.204 1.002 . . . . 0.0 109.314 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.32 142.17 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 125.403 1.481 . . . . 0.0 107.927 -175.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.56 131.34 35.51 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 169.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -137.72 147.93 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 122.833 0.453 . . . . 0.0 110.025 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.51 138.04 51.14 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.215 1.006 . . . . 0.0 108.7 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.04 121.59 19.44 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.527 0.731 . . . . 0.0 111.685 -173.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.654 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 121.211 0.529 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -120.41 -179.38 3.95 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.979 2.112 . . . . 0.0 109.399 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.5 m -126.54 133.53 51.09 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.59 154.98 43.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.341 1.457 . . . . 0.0 107.891 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -72.14 134.93 46.02 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.31 -27.71 69.23 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -66.1 -0.25 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.895 2.078 . . . . 0.0 113.442 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.74 10.1 5.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.871 1.668 . . . . 0.0 109.71 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -115.84 149.94 17.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.498 -1.376 . . . . 0.0 108.758 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -137.29 119.65 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.09 148.84 41.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.724 0.41 . . . . 0.0 110.64 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.4 mt -120.76 128.21 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.978 1.311 . . . . 0.0 108.138 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.51 34.24 9.14 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.002 1.721 . . . . 0.0 113.741 171.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.63 174.82 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.44 0.696 . . . . 0.0 111.23 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.86 161.98 22.7 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.516 0.674 . . . . 0.0 109.856 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.28 -39.11 89.22 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.733 1.213 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -72.76 -35.78 67.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.751 0.705 . . . . 0.0 110.438 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -67.71 -45.1 76.07 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -43.8 94.0 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.948 0.794 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.16 -37.82 81.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.288 0.635 . . . . 0.0 111.616 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.9 96.86 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.58 0.627 . . . . 0.0 111.363 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.88 -50.49 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.1 82.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.786 0.434 . . . . 0.0 109.906 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.25 -39.13 91.87 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.205 0.602 . . . . 0.0 111.547 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -66.32 -42.77 87.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.69 -33.9 77.03 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.474 -0.775 . . . . 0.0 110.787 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.65 -49.51 74.89 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 119.495 1.043 . . . . 0.0 109.618 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -63.14 -37.08 85.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.672 0.669 . . . . 0.0 111.177 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.42 -51.35 67.9 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.421 -0.8 . . . . 0.0 109.78 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.0 67.81 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.61 0.764 . . . . 0.0 112.31 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? . . . . . 0 N--CA 1.468 0.434 0 C-N-CA 124.714 1.206 . . . . 0.0 110.902 175.359 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.37 -35.84 81.36 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.1 p -106.45 1.22 25.39 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -141.46 -45.17 0.37 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.842 0.746 . . . . 0.0 111.942 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.29 -45.38 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 119.108 0.867 . . . . 0.0 110.071 -170.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -122.37 13.6 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.736 0.814 . . . . 0.0 112.248 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -53.95 -35.19 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.098 0.959 . . . . 0.0 112.714 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.74 -11.79 52.71 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.881 0.872 . . . . 0.0 112.291 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.44 176.84 9.42 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.872 0.869 . . . . 0.0 111.883 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.41 -43.11 0.17 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.065 0.946 . . . . 0.0 110.367 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.94 168.64 18.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.948 1.299 . . . . 0.0 108.284 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -48.54 -38.95 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.562 1.945 . . . . 0.0 114.687 -169.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.64 -42.71 77.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.588 0.631 . . . . 0.0 109.431 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -69.35 -34.61 74.85 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.463 0.705 . . . . 0.0 110.103 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -68.35 -42.43 79.26 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.63 -0.669 . . . . 0.0 109.4 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.55 85.6 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.257 0.48 . . . . 0.0 110.293 172.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.3 mmt -63.77 -38.02 89.52 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.068 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.56 57.16 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.303 0.956 . . . . 0.0 111.027 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -57.34 -47.3 81.94 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.875 0.47 . . . . 0.0 111.113 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.25 -48.2 82.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.683 0.793 . . . . 0.0 110.799 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -66.07 -42.61 89.17 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.727 0.694 . . . . 0.0 110.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.45 -46.86 86.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.669 0.387 . . . . 0.0 110.472 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.2 -44.21 84.59 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-O 118.673 -0.679 . . . . 0.0 109.909 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.65 -33.26 72.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.075 0.852 . . . . 0.0 111.732 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.15 -24.24 51.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.135 0.574 . . . . 0.0 112.153 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.9 m -98.15 -45.5 6.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.985 0.514 . . . . 0.0 111.922 -170.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.93 125.4 26.51 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.072 0.949 . . . . 0.0 108.966 -169.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -83.63 61.16 6.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.092 1.357 . . . . 0.0 110.303 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -64.27 156.74 74.5 Favored Pre-proline 0 CA--C 1.542 0.635 0 O-C-N 121.531 -0.731 . . . . 0.0 112.212 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.54 151.26 96.32 Favored 'Cis proline' 0 C--N 1.348 0.521 0 N-CA-C 108.812 -1.265 . . . . 0.0 108.812 -10.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -141.97 162.05 36.44 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.305 0.502 . . . . 0.0 111.052 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -90.02 144.83 25.56 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.94 32.93 Favored Glycine 0 N--CA 1.447 -0.569 0 O-C-N 121.481 -0.762 . . . . 0.0 111.198 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -98.23 124.33 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -83.76 102.35 12.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -94.99 68.24 3.17 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 C--O 1.233 0.184 0 C-N-CA 125.492 1.517 . . . . 0.0 108.902 -175.784 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm . . . . . 0 C--O 1.235 0.296 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -125.31 152.18 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.13 148.93 50.61 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.962 1.255 . . . . 0.0 112.394 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -139.38 148.66 43.15 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 170.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.7 m -100.55 125.61 46.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.82 158.64 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.249 1.023 . . . . 0.0 112.071 -168.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.8 118.21 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 169.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.92 137.63 20.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -98.32 -22.72 15.96 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.887 0.475 . . . . 0.0 111.43 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.95 174.24 26.41 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 -172.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.6 mtp -65.49 153.45 41.38 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.298 0.57 . . . . 0.0 110.009 169.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.63 169.29 5.33 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.302 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -51.98 155.52 8.47 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.017 2.478 . . . . 0.0 112.962 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.85 -32.67 66.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.591 0.756 . . . . 0.0 111.763 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.48 -26.77 66.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.046 0.538 . . . . 0.0 112.145 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -80.6 -40.4 25.79 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.13 10.07 2.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.876 -172.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -18.6 54.75 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.998 2.119 . . . . 0.0 111.478 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -130.9 -27.53 2.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.623 0.769 . . . . 0.0 113.024 -170.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -154.83 169.44 23.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -86.83 136.86 32.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.395 1.452 . . . . 0.0 108.271 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -138.28 157.73 45.69 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.96 141.99 28.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.301 1.44 . . . . 0.0 108.633 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.88 135.52 35.93 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 170.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.75 148.88 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.236 0.615 . . . . 0.0 109.844 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.71 132.51 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 124.949 1.299 . . . . 0.0 107.637 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.1 115.61 12.64 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.843 0.457 . . . . 0.0 110.553 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.703 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -129.01 -178.97 4.85 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.726 2.41 . . . . 0.0 108.492 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 m -125.69 136.56 53.34 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 169.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.56 156.49 39.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.713 1.605 . . . . 0.0 107.981 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 139.54 45.13 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 169.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -28.94 69.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -61.27 -9.62 5.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.871 2.468 . . . . 0.0 113.856 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -122.87 10.07 9.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.551 1.54 . . . . 0.0 109.537 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.81 145.77 18.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 O-C-N 120.762 -1.211 . . . . 0.0 108.313 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -133.48 108.87 8.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.86 150.46 47.76 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.254 0.549 . . . . 0.0 110.343 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.2 mt -119.29 132.93 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.37 41.17 12.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.984 1.714 . . . . 0.0 113.098 174.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.422 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -99.02 171.26 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.663 0.785 . . . . 0.0 110.48 -174.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 159.53 26.5 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 122.049 0.928 . . . . 0.0 110.861 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.495 1.118 . . . . 0.0 110.88 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -73.69 -28.84 61.95 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.538 0.608 . . . . 0.0 110.62 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.422 HG21 HG21 ' A' ' 105' ' ' VAL . 34.5 m -70.9 -47.09 61.06 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -43.61 98.55 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.48 -46.02 89.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.16 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.02 91.0 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.983 0.81 . . . . 0.0 111.473 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.68 -50.78 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 122.921 0.488 . . . . 0.0 109.731 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.14 82.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.608 0.64 . . . . 0.0 110.511 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.492 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 17.3 t70 -64.77 -43.2 94.03 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.717 0.807 . . . . 0.0 111.144 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -63.96 -36.37 83.73 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.09 -0.381 . . . . 0.0 111.189 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 50.4 mt -71.4 -40.46 70.51 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.139 -0.976 . . . . 0.0 111.697 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 1.1 p90 -70.64 -29.84 66.31 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.251 1.387 . . . . 0.0 110.379 173.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -65.15 -35.88 82.49 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.369 -0.832 . . . . 0.0 109.769 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.19 -48.79 77.87 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.629 -0.669 . . . . 0.0 109.585 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.13 -25.1 67.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 112.984 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.371 0 C-N-CA 125.225 1.41 . . . . 0.0 113.964 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.8 mt . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.88 -41.46 82.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.609 0.764 . . . . 0.0 111.77 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.6 p -93.17 -14.27 27.36 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -171.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -129.94 -13.07 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.11 -39.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 119.579 1.081 . . . . 0.0 109.981 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -126.39 14.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.51 -31.78 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.192 0.997 . . . . 0.0 112.485 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.09 11.27 34.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.582 1.153 . . . . 0.0 111.472 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.49 152.82 51.71 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 124.623 1.169 . . . . 0.0 110.006 -169.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.45 -37.66 0.23 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.642 0.777 . . . . 0.0 111.135 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.06 163.29 24.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -64.86 -34.93 79.54 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.179 -0.95 . . . . 0.0 111.439 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.45 -43.99 79.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -66.04 -45.56 80.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.95 0.5 . . . . 0.0 109.659 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -68.43 -34.65 76.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.15 -176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.76 96.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.841 0.746 . . . . 0.0 110.33 169.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.6 mmt -67.09 -33.73 76.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.674 -0.641 . . . . 0.0 112.474 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.97 -50.29 67.27 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -57.85 -48.36 80.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.183 171.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.01 -54.21 49.46 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.083 0.401 . . . . 0.0 111.406 -173.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -73.87 -29.12 61.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.11 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -63.33 -46.48 86.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.186 0.903 . . . . 0.0 110.139 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.0 -46.51 84.2 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.469 0.708 . . . . 0.0 109.759 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.37 -33.93 71.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.372 0.533 . . . . 0.0 111.978 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.85 -23.01 49.05 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.191 0.596 . . . . 0.0 112.529 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -98.98 -44.98 6.12 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.202 0.601 . . . . 0.0 111.855 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.71 123.59 20.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.403 1.081 . . . . 0.0 109.989 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.08 46.39 1.01 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.423 1.489 . . . . 0.0 110.457 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 26.6 p90 -64.19 157.92 67.39 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.094 -1.004 . . . . 0.0 110.967 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.81 147.88 77.36 Favored 'Cis proline' 0 C--N 1.35 0.611 0 CA-C-N 119.707 0.931 . . . . 0.0 110.974 -8.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -150.69 166.57 29.99 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.88 0.472 . . . . 0.0 109.834 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -88.96 145.93 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.476 -0.765 . . . . 0.0 109.689 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.64 169.85 31.75 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -99.02 124.33 43.93 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.62 102.62 11.57 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -92.18 64.21 4.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 126.309 1.844 . . . . 0.0 106.371 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -172.579 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm . . . . . 0 C--O 1.235 0.297 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -113.65 148.98 35.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 104.194 -2.521 . . . . 0.0 104.194 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -128.95 131.57 47.52 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.169 -0.957 . . . . 0.0 109.873 -170.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -131.45 146.38 52.23 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 m -97.79 125.83 42.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.28 156.28 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 122.02 0.914 . . . . 0.0 111.155 -169.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -105.47 116.23 31.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -73.26 143.45 13.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.56 -24.45 13.41 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.334 0.654 . . . . 0.0 110.757 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.67 176.59 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.84 148.8 42.12 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.07 168.97 7.78 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.0 147.08 27.43 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.037 1.824 . . . . 0.0 111.694 169.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -58.81 -31.22 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.961 0.504 . . . . 0.0 111.144 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -65.21 -26.79 68.29 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.86 0.864 . . . . 0.0 112.461 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -79.84 -26.32 40.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.883 -0.511 . . . . 0.0 110.493 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.0 m -95.58 28.48 2.97 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.044 0.938 . . . . 0.0 113.215 -169.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.35 -19.32 59.67 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 -176.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.4 -16.31 3.5 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -170.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -166.53 159.89 14.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.438 2.295 . . . . 0.0 104.853 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -92.18 144.42 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.362 0.983 . . . . 0.0 108.75 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -141.21 156.86 45.86 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.27 0.628 . . . . 0.0 110.753 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.48 142.96 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.897 1.679 . . . . 0.0 107.812 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.92 136.25 37.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.04 152.42 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 123.346 0.658 . . . . 0.0 109.919 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.34 141.06 51.54 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.641 1.177 . . . . 0.0 107.917 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -73.62 124.91 26.84 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.827 0.451 . . . . 0.0 110.778 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -139.51 179.88 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.386 1.874 . . . . 0.0 108.977 -169.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -127.79 135.32 49.93 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 170.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.83 49.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -72.26 137.28 46.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.26 -26.64 66.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.754 0.422 . . . . 0.0 109.933 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -59.74 -14.39 14.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.881 1.672 . . . . 0.0 113.601 172.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 14.17 9.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.261 1.424 . . . . 0.0 109.581 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.73 149.08 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 120.256 -1.527 . . . . 0.0 108.507 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -133.53 133.4 42.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 169.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.84 25.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.879 0.472 . . . . 0.0 110.311 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.51 132.51 70.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.805 1.242 . . . . 0.0 107.693 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.43 38.63 18.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.84 1.656 . . . . 0.0 113.833 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -92.54 175.27 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 123.997 0.919 . . . . 0.0 111.007 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.16 163.63 24.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 169.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.15 -38.69 89.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.428 1.091 . . . . 0.0 110.878 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.77 -32.7 67.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.659 0.663 . . . . 0.0 110.725 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 m -72.64 -46.64 53.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -59.4 -39.37 83.18 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 119.109 0.868 . . . . 0.0 110.598 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.76 -41.01 99.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.931 0.893 . . . . 0.0 111.153 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.78 94.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.309 0.959 . . . . 0.0 111.015 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.66 -53.57 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.82 92.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.246 0.475 . . . . 0.0 110.365 -170.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.46 -36.41 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.514 1.126 . . . . 0.0 111.519 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -65.85 -43.69 87.73 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.452 0.301 . . . . 0.0 110.674 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.84 -33.11 75.09 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.655 -0.653 . . . . 0.0 110.968 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.96 -43.19 83.75 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.245 0.93 . . . . 0.0 109.967 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.93 -40.59 93.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.061 1.3 . . . . 0.0 111.622 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.22 -50.72 72.55 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.608 0.763 . . . . 0.0 109.464 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.35 -22.27 66.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.015 0.526 . . . . 0.0 112.378 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.395 0 C-N-CA 124.213 1.005 . . . . 0.0 110.859 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 CA--C 1.535 0.386 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.78 -32.0 67.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.844 1.257 . . . . 0.0 112.033 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 p -106.61 -3.3 20.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.708 0.803 . . . . 0.0 113.096 -171.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -136.45 -22.43 1.3 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.1 -38.45 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.329 0.968 . . . . 0.0 110.308 -169.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.54 12.85 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.156 0.889 . . . . 0.0 112.151 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -56.33 -33.85 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.751 0.82 . . . . 0.0 111.969 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -86.67 -12.07 49.47 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.849 0.86 . . . . 0.0 112.138 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.73 161.77 28.23 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.604 -0.685 . . . . 0.0 111.837 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -149.77 -26.24 0.26 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.223 1.009 . . . . 0.0 112.196 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -147.05 170.75 16.5 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.086 1.355 . . . . 0.0 107.554 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -56.08 -29.37 60.47 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.522 1.529 . . . . 0.0 114.202 -171.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.62 -50.65 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -70.5 -32.14 69.52 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.602 -0.686 . . . . 0.0 111.085 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -57.61 8.96 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 124.832 1.253 . . . . 0.0 107.75 173.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.11 -29.16 61.7 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.961 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.7 mmt -64.18 -40.01 95.2 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 119.742 1.156 . . . . 0.0 110.896 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.9 -50.49 63.47 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.208 0.913 . . . . 0.0 110.957 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -57.8 -46.52 84.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.295 0.638 . . . . 0.0 111.023 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -67.02 -47.63 70.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.335 1.454 . . . . 0.0 110.431 -173.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -65.87 -39.45 90.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.064 0.847 . . . . 0.0 110.545 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.31 -52.18 66.66 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.465 0.706 . . . . 0.0 110.344 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.57 -44.8 77.35 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.911 -177.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.09 -33.25 71.83 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.212 0.605 . . . . 0.0 111.989 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.76 -25.17 48.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.4 m -97.46 -46.7 5.96 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.126 -0.359 . . . . 0.0 111.745 -169.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -66.23 121.27 14.84 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.37 1.068 . . . . 0.0 108.464 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.93 49.24 1.74 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.235 1.014 . . . . 0.0 109.92 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 23.9 p90 -64.25 163.38 25.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.583 0.753 . . . . 0.0 111.28 176.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.68 143.95 21.32 Favored 'Cis proline' 0 C--N 1.351 0.679 0 CA-C-N 120.067 1.06 . . . . 0.0 112.026 -10.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -145.43 158.23 43.87 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.438 0.563 . . . . 0.0 109.81 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 ttt -86.85 142.64 27.92 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.426 -0.796 . . . . 0.0 108.999 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.88 172.28 31.92 Favored Glycine 0 C--N 1.332 0.36 0 O-C-N 121.593 -0.692 . . . . 0.0 111.765 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.96 125.04 44.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -81.74 101.83 10.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -89.21 62.08 6.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.612 1.965 . . . . 0.0 107.154 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 tttt . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -173.897 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 mm . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.93 150.07 52.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -121.56 127.28 50.79 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.748 0.419 . . . . 0.0 110.139 -169.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -127.86 139.11 52.82 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 170.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -88.47 127.96 35.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 158.81 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 122.045 0.926 . . . . 0.0 110.905 -169.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.87 115.18 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 169.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -75.05 130.35 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.8 -24.77 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.52 -179.97 35.68 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.43 149.87 32.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.89 166.36 10.23 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.205 171.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.18 153.46 9.35 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.782 2.322 . . . . 0.0 112.455 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -56.33 -30.92 63.21 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 123.266 0.627 . . . . 0.0 111.489 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.99 -31.43 72.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.618 0.767 . . . . 0.0 111.867 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.79 -47.71 16.19 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 171.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.4 m -71.71 9.97 0.77 Allowed 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.0 mt -78.95 -28.75 43.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.679 1.191 . . . . 0.0 109.657 169.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -86.49 -50.55 6.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.567 0.747 . . . . 0.0 109.815 -172.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -166.52 169.99 13.23 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.212 1.805 . . . . 0.0 107.255 -169.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.48 131.89 35.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.211 1.369 . . . . 0.0 111.391 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -140.45 160.26 40.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.363 1.065 . . . . 0.0 110.726 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.14 143.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 125.987 1.715 . . . . 0.0 107.948 -177.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -81.81 135.25 35.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 169.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.36 146.09 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 123.117 0.567 . . . . 0.0 110.211 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.34 133.1 56.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 125.204 1.402 . . . . 0.0 107.465 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -83.37 90.94 7.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.711 0.804 . . . . 0.0 109.558 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 CA--C 1.537 0.458 0 C-N-CA 125.049 1.34 . . . . 0.0 109.009 179.148 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.5 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 121.717 0.77 . . . . 0.0 108.96 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -131.14 178.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.829 2.452 . . . . 0.0 107.959 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 m -126.26 137.15 53.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.62 153.58 47.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.363 1.465 . . . . 0.0 107.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -70.95 139.38 50.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 105.129 -2.175 . . . . 0.0 105.129 169.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.39 -28.62 67.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.553 0.615 . . . . 0.0 109.438 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 m -57.61 -24.97 59.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.751 2.02 . . . . 0.0 113.675 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -108.21 13.22 25.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.049 1.34 . . . . 0.0 109.574 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -118.06 148.4 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 O-C-N 120.527 -1.358 . . . . 0.0 108.262 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.62 133.46 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.1 156.61 29.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.628 0.728 . . . . 0.0 110.477 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.0 mt -122.74 130.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.86 38.09 11.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.086 1.754 . . . . 0.0 113.486 173.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.481 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -94.6 172.61 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.286 0.634 . . . . 0.0 111.029 -175.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.57 156.68 39.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.576 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.79 -39.57 77.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.55 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -74.05 -38.02 64.11 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.112 0.869 . . . . 0.0 110.644 -173.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.481 HG21 HG21 ' A' ' 105' ' ' VAL . 33.9 m -59.11 -50.34 74.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.106 0.963 . . . . 0.0 109.449 170.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.52 -37.79 88.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.1 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.16 -42.34 93.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.927 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.644 1.111 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.5 mt -66.75 -51.44 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.063 0.545 . . . . 0.0 109.538 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.66 91.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.933 0.333 . . . . 0.0 110.235 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.06 -41.45 99.46 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.097 0.959 . . . . 0.0 111.952 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.32 -46.01 89.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.59 -35.6 81.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.995 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -61.3 -56.2 23.17 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.974 1.261 . . . . 0.0 109.338 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -60.97 -40.13 92.22 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.848 0.859 . . . . 0.0 110.664 -174.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.91 -49.28 76.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.289 0.636 . . . . 0.0 110.601 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.37 66.61 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.275 0.63 . . . . 0.0 112.376 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 . . . . . 0 N--CA 1.47 0.526 0 CA-C-N 119.171 0.896 . . . . 0.0 110.912 174.222 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.9 mtm . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.56 144.51 16.88 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.051 1.34 . . . . 0.0 108.098 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -75.99 21.45 0.17 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.493 1.517 . . . . 0.0 112.839 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 p -74.06 28.54 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 126.951 2.1 . . . . 0.0 112.79 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.82 71.19 0.21 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.138 2.175 . . . . 0.0 110.63 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -32.23 68.59 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.437 -0.79 . . . . 0.0 112.941 -176.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -179.22 149.07 0.4 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 129.487 3.115 . . . . 0.0 105.422 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.16 -14.94 63.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.708 0.803 . . . . 0.0 113.0 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -47.87 -46.61 31.54 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.999 1.319 . . . . 0.0 111.908 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -76.35 -36.4 58.23 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.755 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -57.88 -44.69 86.84 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.848 0.749 . . . . 0.0 109.481 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -62.04 -50.73 70.83 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.425 0.69 . . . . 0.0 109.557 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -59.37 -45.6 90.99 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.694 0.679 . . . . 0.0 111.18 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -54.51 -59.93 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.91 -34.99 76.3 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.1 p -106.68 -0.71 23.44 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -141.89 -45.91 0.35 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.814 0.734 . . . . 0.0 112.473 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.4 mt -78.06 -47.64 24.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 119.408 1.004 . . . . 0.0 109.993 -172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 pt -122.37 13.3 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.901 0.88 . . . . 0.0 112.001 -174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.79 -36.17 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 123.988 0.915 . . . . 0.0 112.553 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.38 -12.43 56.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.799 0.84 . . . . 0.0 112.171 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.28 173.13 12.89 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.566 0.747 . . . . 0.0 111.972 -173.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -149.54 -43.61 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.362 1.065 . . . . 0.0 109.672 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -131.29 171.41 13.37 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.624 1.17 . . . . 0.0 109.376 -177.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -50.45 -40.29 50.23 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.151 1.38 . . . . 0.0 114.477 -169.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.59 -41.42 84.12 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.16 -32.77 67.17 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.856 -0.528 . . . . 0.0 110.359 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -67.59 -42.77 81.94 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.53 95.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 122.702 0.401 . . . . 0.0 110.248 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.2 mmt -63.66 -37.98 89.4 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.548 -0.739 . . . . 0.0 112.37 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.79 -51.8 56.94 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 119.457 1.026 . . . . 0.0 110.949 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -58.63 -46.61 86.71 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 119.286 -0.388 . . . . 0.0 111.241 174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -59.89 -47.79 84.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.117 0.567 . . . . 0.0 110.467 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -66.94 -41.06 87.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.748 0.703 . . . . 0.0 110.716 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -61.52 -48.67 79.99 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.441 0.564 . . . . 0.0 110.208 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mp -66.95 -43.34 83.43 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.057 0.543 . . . . 0.0 109.682 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.63 -34.87 74.9 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.439 0.696 . . . . 0.0 111.625 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -78.65 -22.17 47.25 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.7 m -101.5 -44.61 5.55 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -169.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -70.67 126.77 30.53 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.622 0.769 . . . . 0.0 109.724 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -85.12 43.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.327 1.451 . . . . 0.0 110.393 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -62.8 158.19 54.09 Favored Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 121.143 -0.973 . . . . 0.0 110.453 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.54 147.89 76.58 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 120.108 1.074 . . . . 0.0 111.229 -6.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -150.85 161.98 41.65 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.089 0.555 . . . . 0.0 109.768 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.5 ttt -82.18 146.6 29.46 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 169.47 32.11 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -100.7 121.81 42.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 169.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -83.79 101.09 11.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 104.595 -2.372 . . . . 0.0 104.595 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.67 69.87 10.37 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.366 1.467 . . . . 0.0 107.721 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -60.9 114.93 3.33 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 122.396 0.278 . . . . 0.0 110.431 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.47 131.59 51.24 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 169.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.1 m -148.86 172.2 15.05 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.56 0.695 . . . . 0.0 112.64 -169.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 61.61 8.8 2.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 127.414 2.285 . . . . 0.0 114.348 171.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 52.72 28.14 5.99 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.312 1.445 . . . . 0.0 112.167 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.5 p -131.63 16.14 4.86 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.513 1.525 . . . . 0.0 109.95 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.0 m 53.57 37.21 25.34 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.984 1.314 . . . . 0.0 111.983 -170.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.7 m -68.7 151.53 46.55 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 169.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.1 mm -117.76 101.59 12.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -85.78 87.9 7.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -67.09 151.65 47.22 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.418 0.628 . . . . 0.0 110.278 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -150.5 141.28 22.76 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.154 -2.165 . . . . 0.0 105.154 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 m -99.42 124.37 44.5 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -135.61 161.47 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-O 122.06 0.934 . . . . 0.0 111.276 -169.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.26 113.33 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.994 -2.224 . . . . 0.0 104.994 169.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -73.93 143.34 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -103.4 -25.77 13.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.285 0.634 . . . . 0.0 110.517 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.75 173.63 29.58 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.0 152.41 43.47 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 169.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.43 165.81 8.32 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 169.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.89 157.75 7.45 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.039 2.493 . . . . 0.0 112.846 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.45 -30.34 62.74 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.5 0.72 . . . . 0.0 112.249 174.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.54 -31.7 73.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.566 0.621 . . . . 0.0 111.764 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.28 -43.08 19.68 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.7 m -71.09 2.52 4.41 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -83.05 -16.27 47.71 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.384 1.473 . . . . 0.0 110.64 169.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm -110.53 -37.84 5.37 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 124.121 0.969 . . . . 0.0 110.795 -169.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -164.53 170.83 15.34 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -80.33 127.64 32.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 120.388 1.449 . . . . 0.0 108.129 171.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -138.49 158.89 43.4 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.905 0.882 . . . . 0.0 110.141 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.16 142.59 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.414 1.486 . . . . 0.0 107.792 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -80.59 135.33 36.05 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 170.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.58 149.21 22.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 123.355 0.662 . . . . 0.0 109.944 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.21 125.77 53.76 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -78.97 99.4 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.074 0.55 . . . . 0.0 109.519 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -61.06 -26.92 40.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 124.2 1.0 . . . . 0.0 109.811 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.48 10.47 57.82 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.52 -1.155 . . . . 0.0 113.008 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.68 -19.78 0.06 OUTLIER Glycine 0 CA--C 1.528 0.886 0 CA-C-N 119.203 1.502 . . . . 0.0 115.167 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -140.77 -57.6 0.51 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 119.445 1.622 . . . . 0.0 110.041 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.6 t70 49.33 19.83 0.38 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.485 1.914 . . . . 0.0 113.521 -169.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -156.96 7.98 0.18 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.285 1.434 . . . . 0.0 111.47 -171.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -151.24 164.93 35.47 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.628 1.571 . . . . 0.0 107.563 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.7 t -130.0 144.42 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.016 0.926 . . . . 0.0 109.756 -169.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -122.98 -176.81 3.5 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.079 2.552 . . . . 0.0 108.042 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.5 m -128.51 139.92 52.07 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.11 154.07 48.69 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.4 1.48 . . . . 0.0 108.506 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -70.95 137.59 49.3 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.27 -28.74 68.32 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 169.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -61.58 -15.05 35.3 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.889 1.675 . . . . 0.0 113.477 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.31 10.02 13.58 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.769 1.228 . . . . 0.0 109.371 -177.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -110.34 146.39 15.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 122.303 1.049 . . . . 0.0 108.696 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.62 106.54 8.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.82 150.82 46.44 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -120.07 132.39 69.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.63 39.16 20.84 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.839 1.656 . . . . 0.0 113.701 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.2 m -90.28 173.76 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.36 0.664 . . . . 0.0 110.902 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -69.85 163.39 25.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.621 0.725 . . . . 0.0 110.246 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.19 -38.67 80.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.021 1.328 . . . . 0.0 110.831 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -70.21 -34.57 73.07 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.99 0.814 . . . . 0.0 110.866 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.1 m -69.96 -47.79 60.91 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -38.79 84.72 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.17 -50.46 73.44 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.024 0.93 . . . . 0.0 111.461 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.45 86.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.887 0.312 . . . . 0.0 111.127 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.0 mt -66.3 -50.38 68.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.302 0.641 . . . . 0.0 109.649 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.68 -46.45 84.27 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.537 0.608 . . . . 0.0 110.168 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.43 -41.88 86.01 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.834 0.853 . . . . 0.0 110.724 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -66.28 -35.98 81.8 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.467 0.707 . . . . 0.0 111.443 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.43 -30.78 70.61 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.114 -0.991 . . . . 0.0 111.602 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -66.04 -44.1 85.64 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.852 1.205 . . . . 0.0 110.15 170.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -61.11 -37.6 83.35 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.189 0.449 . . . . 0.0 111.512 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 69.7 tp -61.53 -49.29 77.29 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.378 -0.826 . . . . 0.0 109.938 174.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -60.84 -36.1 78.27 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.069 0.548 . . . . 0.0 111.82 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -62.55 -16.97 58.87 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.796 1.239 . . . . 0.0 113.729 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.88 33.37 60.05 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 120.149 1.34 . . . . 0.0 111.455 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 62.13 171.16 0.13 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.069 2.548 . . . . 0.0 115.226 169.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -135.29 8.76 3.43 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.724 1.209 . . . . 0.0 111.64 169.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 124.722 1.209 . . . . 0.0 107.944 168.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.22 70.64 2.88 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.162 0.985 . . . . 0.0 108.972 169.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -74.67 21.04 0.11 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.97 1.708 . . . . 0.0 113.205 -174.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -54.29 -29.59 19.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 125.109 1.364 . . . . 0.0 111.668 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.25 158.06 43.92 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 169.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -49.43 -45.76 46.82 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 126.644 1.978 . . . . 0.0 114.4 -168.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.57 -170.03 0.87 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.323 1.449 . . . . 0.0 108.598 -174.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.69 7.34 0.89 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.805 2.042 . . . . 0.0 113.447 -176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.44 -41.88 66.54 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 121.184 1.811 . . . . 0.0 110.615 171.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -58.55 -46.18 87.41 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.256 0.222 . . . . 0.0 110.503 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -68.8 -33.92 74.66 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.95 0.5 . . . . 0.0 110.134 -175.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -65.78 -42.32 90.93 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.05 0.387 . . . . 0.0 111.539 171.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.7 mmm-85 -64.58 -43.05 95.08 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.073 -1.017 . . . . 0.0 110.456 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.66 -50.63 73.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.941 0.896 . . . . 0.0 108.675 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.36 -38.96 78.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.793 0.837 . . . . 0.0 111.891 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 p -93.13 -14.06 27.7 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -171.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -133.93 -12.69 2.54 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.4 mt -121.32 -41.28 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.878 1.217 . . . . 0.0 109.991 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.2 pt -120.44 15.96 6.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 123.549 0.74 . . . . 0.0 112.042 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.52 -31.48 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 123.778 0.831 . . . . 0.0 111.83 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -90.88 10.4 26.46 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.602 1.161 . . . . 0.0 111.801 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.11 161.98 32.96 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.878 1.271 . . . . 0.0 111.39 -169.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -150.13 -41.45 0.13 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.933 0.893 . . . . 0.0 110.415 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -81.98 164.28 21.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.955 0.798 . . . . 0.0 108.948 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -59.35 -39.23 82.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.787 0.835 . . . . 0.0 111.896 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.95 -42.55 73.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -66.53 -43.1 86.12 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -62.53 -41.67 99.02 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.31 96.31 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.988 0.358 . . . . 0.0 110.774 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.9 mmt -64.36 -37.04 86.12 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-O 118.482 -0.77 . . . . 0.0 111.701 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.15 -50.15 66.61 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-N 119.427 1.012 . . . . 0.0 110.676 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.45 -50.43 73.74 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.654 0.382 . . . . 0.0 111.521 173.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -61.57 -46.93 87.82 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.151 0.58 . . . . 0.0 110.46 -173.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -65.5 -43.05 91.35 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.095 0.558 . . . . 0.0 110.513 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -62.77 -46.95 85.63 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.272 0.487 . . . . 0.0 110.296 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -67.64 -43.59 79.98 Favored 'General case' 0 C--O 1.228 -0.048 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.46 -33.76 71.69 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.838 0.744 . . . . 0.0 111.998 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.15 -22.54 44.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.243 0.617 . . . . 0.0 112.517 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -100.21 -45.18 5.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -169.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -68.83 127.69 34.01 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -169.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -86.83 45.1 1.22 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.329 1.452 . . . . 0.0 110.289 -175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 8.2 p90 -63.07 156.91 65.53 Favored Pre-proline 0 CA--C 1.545 0.766 0 O-C-N 121.208 -0.933 . . . . 0.0 111.325 175.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -68.37 146.94 80.12 Favored 'Cis proline' 0 C--N 1.349 0.596 0 CA-C-N 119.414 0.826 . . . . 0.0 111.72 -4.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -148.21 165.29 31.38 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.098 0.959 . . . . 0.0 109.529 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.7 ttt -92.54 145.18 24.64 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.286 -0.883 . . . . 0.0 109.403 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.75 170.17 32.44 Favored Glycine 0 C--N 1.334 0.447 0 O-C-N 121.137 -0.977 . . . . 0.0 111.501 172.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -100.15 125.34 46.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 169.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -82.03 104.21 12.22 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 104.687 -2.338 . . . . 0.0 104.687 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -86.61 68.33 10.13 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.679 1.591 . . . . 0.0 106.927 171.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -61.14 123.34 17.41 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -67.13 164.69 17.48 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.961 0.8 . . . . 0.0 110.634 172.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 m 71.53 48.31 0.33 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.315 1.846 . . . . 0.0 113.953 169.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -56.58 -47.09 80.3 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 168.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -147.36 -46.14 0.17 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.773 0.829 . . . . 0.0 111.125 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 p -141.67 61.25 1.47 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.189 0.996 . . . . 0.0 108.607 -170.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.6 m 58.5 13.58 2.58 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.296 1.438 . . . . 0.0 113.276 -170.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.27 152.73 41.97 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.588 1.955 . . . . 0.0 109.777 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.9 mm -82.85 142.13 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 121.264 -0.898 . . . . 0.0 109.216 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -117.61 151.57 36.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 169.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -128.06 126.97 42.27 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 -170.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -134.5 134.59 41.64 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.0 m -89.89 125.26 35.28 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -138.66 153.98 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.328 1.061 . . . . 0.0 111.367 -169.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.39 119.54 38.14 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.98 114.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.68 -35.57 44.98 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 122.55 0.34 . . . . 0.0 110.514 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.431 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 166.07 179.74 39.73 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.18 148.18 41.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.9 164.53 16.67 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 123.763 0.825 . . . . 0.0 109.335 169.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -60.13 157.21 35.68 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 121.654 1.569 . . . . 0.0 111.089 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.44 -31.75 64.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.055 0.942 . . . . 0.0 112.268 -175.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.03 -27.61 68.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.079 0.951 . . . . 0.0 112.344 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -79.79 -36.26 37.34 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.6 m -80.76 34.37 0.34 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.857 1.263 . . . . 0.0 112.902 -169.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.71 -21.73 21.46 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.226 1.01 . . . . 0.0 113.462 -174.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -137.29 -17.55 1.34 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.795 0.838 . . . . 0.0 113.105 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -154.76 165.08 37.74 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.233 -2.506 . . . . 0.0 104.233 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.0 mmt -93.7 140.9 29.1 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -136.2 157.08 47.67 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.128 0.571 . . . . 0.0 110.186 -174.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -141.88 143.22 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 125.544 1.538 . . . . 0.0 108.065 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -80.29 132.78 35.88 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.71 149.27 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -175.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -130.13 137.88 50.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 124.083 0.953 . . . . 0.0 108.535 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.35 123.72 21.55 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 123.131 0.572 . . . . 0.0 110.733 -178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.0 mt -75.37 -24.0 17.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 123.084 0.554 . . . . 0.0 110.053 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.75 -44.37 95.86 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 123.993 0.806 . . . . 0.0 112.399 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.07 -24.78 0.05 OUTLIER Glycine 0 CA--C 1.528 0.891 0 CA-C-O 118.868 -0.962 . . . . 0.0 114.582 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -81.73 35.21 0.41 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.801 1.8 . . . . 0.0 111.328 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -58.53 -31.78 68.25 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.693 1.197 . . . . 0.0 111.638 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.62 -14.39 62.99 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.785 1.234 . . . . 0.0 112.991 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -123.25 68.45 1.0 Allowed 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.053 1.341 . . . . 0.0 109.058 -171.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.1 t -55.7 150.3 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.295 1.438 . . . . 0.0 110.129 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -127.01 178.17 6.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.712 2.005 . . . . 0.0 109.501 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 m -127.49 136.01 51.17 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.6 154.41 47.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.201 1.4 . . . . 0.0 107.887 -176.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.46 138.4 48.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.01 -28.22 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m -60.9 -17.3 50.01 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.98 2.112 . . . . 0.0 113.606 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.56 11.38 17.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.84 1.656 . . . . 0.0 109.871 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -115.48 149.84 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 120.291 -1.506 . . . . 0.0 109.023 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -135.59 112.06 9.92 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 150.64 46.75 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.376 0.607 . . . . 0.0 110.206 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -119.44 131.97 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 125.502 1.521 . . . . 0.0 107.161 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.94 37.17 7.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.175 1.79 . . . . 0.0 113.436 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 109' ' ' THR . 4.3 p -92.47 173.04 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.556 0.742 . . . . 0.0 110.638 -174.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.68 157.63 29.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 122.093 0.949 . . . . 0.0 110.118 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.47 -42.47 96.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.83 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -74.26 -28.1 61.06 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.119 0.418 . . . . 0.0 110.801 -175.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.475 HG21 HG21 ' A' ' 105' ' ' VAL . 35.2 m -69.29 -48.52 61.42 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 173.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -40.88 97.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.96 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -64.67 -43.74 92.61 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.434 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.8 98.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 119.091 0.859 . . . . 0.0 110.707 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.82 -50.19 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.91 87.36 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.6 0.636 . . . . 0.0 110.484 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.59 -41.54 94.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.003 0.921 . . . . 0.0 111.456 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -65.59 -45.39 83.42 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 119.187 -0.435 . . . . 0.0 109.963 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.38 -34.44 77.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 118.929 0.786 . . . . 0.0 111.359 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -63.18 -52.99 60.14 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 119.213 0.915 . . . . 0.0 109.318 173.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -58.27 -39.99 80.68 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.67 0.788 . . . . 0.0 111.648 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.84 -53.37 58.71 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.621 1.568 . . . . 0.0 109.743 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.43 68.29 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.407 0.683 . . . . 0.0 112.377 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -72.03 -7.36 48.38 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.989 0.916 . . . . 0.0 112.018 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.32 57.23 6.93 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 176.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -56.27 164.26 1.38 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.954 0.883 . . . . 0.0 112.62 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -142.23 18.48 2.08 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.381 1.073 . . . . 0.0 111.802 -169.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.6 p90 . . . . . 0 C--O 1.252 1.23 0 CA-C-N 117.835 0.289 . . . . 0.0 110.548 177.247 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.28 157.64 34.61 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.974 1.31 . . . . 0.0 109.263 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -75.41 17.02 0.29 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.359 1.464 . . . . 0.0 114.553 -170.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -123.08 -3.5 7.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 126.934 2.094 . . . . 0.0 110.786 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -79.64 72.74 6.34 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.416 1.486 . . . . 0.0 107.625 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -35.56 73.66 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.554 1.142 . . . . 0.0 111.506 -170.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -167.81 159.5 11.69 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.696 1.599 . . . . 0.0 107.018 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.33 -18.7 18.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.586 0.755 . . . . 0.0 112.792 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.9 m -50.1 -37.66 35.0 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.928 0.891 . . . . 0.0 110.878 169.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -63.96 -47.98 78.3 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 119.617 1.099 . . . . 0.0 110.088 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.46 -44.98 81.07 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 123.276 0.63 . . . . 0.0 110.152 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -64.18 -45.3 88.96 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 118.929 -0.558 . . . . 0.0 111.186 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -61.99 -45.11 95.08 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.434 1.015 . . . . 0.0 110.171 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -55.32 -56.24 12.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -63.72 -37.21 86.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.663 0.785 . . . . 0.0 112.564 -172.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.5 p -100.84 -10.88 20.29 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -169.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -134.43 -20.73 1.83 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.568 1.076 . . . . 0.0 113.658 -176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.8 mt -107.54 -44.41 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.889 1.222 . . . . 0.0 109.689 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -122.6 14.5 5.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.568 0.747 . . . . 0.0 112.183 -177.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.42 -35.18 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.465 1.106 . . . . 0.0 112.61 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -89.84 -7.31 54.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.91 0.884 . . . . 0.0 112.097 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.65 172.3 13.27 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.4 0.619 . . . . 0.0 112.005 -174.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -153.2 -43.94 0.1 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.619 1.168 . . . . 0.0 109.496 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -105.78 176.02 5.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.056 1.342 . . . . 0.0 108.935 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -72.42 -30.44 64.63 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 120.767 -1.208 . . . . 0.0 111.4 174.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.22 -41.75 94.12 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -68.0 -34.61 76.83 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 110.75 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -66.15 -41.73 90.02 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.998 0.817 . . . . 0.0 110.382 175.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.0 93.43 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.46 0.573 . . . . 0.0 110.277 175.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.76 -37.24 86.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 118.812 -0.613 . . . . 0.0 111.984 175.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.88 -51.61 56.07 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -56.77 -47.02 81.07 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.23 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.7 -53.41 58.45 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.654 0.382 . . . . 0.0 110.778 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.25 -35.07 73.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.01 -174.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.3 -47.49 84.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.9 0.773 . . . . 0.0 110.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.61 -44.4 82.19 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-O 118.921 -0.562 . . . . 0.0 109.877 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.93 -33.65 72.18 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.685 0.675 . . . . 0.0 111.976 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.14 -23.2 47.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.102 0.561 . . . . 0.0 112.46 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -99.99 -44.97 5.84 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.16 125.33 26.04 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.93 0.892 . . . . 0.0 109.639 -169.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -82.58 45.86 1.01 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.507 1.523 . . . . 0.0 110.5 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.409 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 24.2 p90 -64.31 160.04 53.33 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.132 -0.98 . . . . 0.0 110.524 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.37 148.77 77.78 Favored 'Cis proline' 0 C--N 1.35 0.631 0 CA-C-N 119.94 1.014 . . . . 0.0 110.945 -8.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -150.98 163.85 37.77 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.146 0.579 . . . . 0.0 109.585 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -84.42 147.85 26.89 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.35 -0.844 . . . . 0.0 108.965 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.06 166.47 31.51 Favored Glycine 0 N--CA 1.449 -0.495 0 O-C-N 121.248 -0.907 . . . . 0.0 110.893 172.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -98.63 126.2 44.15 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 169.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -83.11 106.87 15.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.179 -2.526 . . . . 0.0 104.179 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -100.6 64.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 106.438 -1.689 . . . . 0.0 106.438 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -60.44 114.1 2.77 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.576 1.151 . . . . 0.0 109.49 -171.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -80.02 126.2 30.74 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 171.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 p -175.37 -30.74 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -60.42 121.33 11.8 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.809 0.731 . . . . 0.0 110.976 -169.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.8 tttt 39.06 -96.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.913 2.085 . . . . 0.0 111.932 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -71.38 36.81 0.06 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.141 2.576 . . . . 0.0 113.159 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m 52.58 34.38 15.57 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.045 1.338 . . . . 0.0 111.7 -173.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.7 153.59 41.1 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 125.043 1.337 . . . . 0.0 108.876 -177.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.0 mm -72.52 143.65 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.93 0.892 . . . . 0.0 109.243 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -130.94 153.78 48.82 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 168.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.49 138.82 54.31 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -169.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -141.57 144.96 34.53 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.2 m -102.42 129.02 48.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.5 m -140.97 158.46 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 122.256 1.027 . . . . 0.0 111.347 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.13 123.0 46.49 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 168.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -81.49 137.62 20.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 171.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.31 -26.81 15.24 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 123.562 0.745 . . . . 0.0 109.977 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.04 177.36 35.03 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 109.271 -1.532 . . . . 0.0 109.271 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 81.5 mmm -62.65 148.36 46.6 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.19 165.16 18.13 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 169.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -60.2 152.96 62.36 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.264 1.309 . . . . 0.0 110.891 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -58.25 -28.35 64.84 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.469 0.707 . . . . 0.0 112.064 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -63.13 -29.3 70.69 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.279 1.031 . . . . 0.0 112.54 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -80.88 -31.38 35.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.807 0.443 . . . . 0.0 109.991 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -83.34 23.46 0.91 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.054 . . . . 0.0 112.809 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.98 -21.68 56.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.465 1.106 . . . . 0.0 112.585 -173.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -135.33 -17.22 1.8 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -169.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -156.42 165.64 35.74 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -92.22 144.29 25.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -140.48 156.38 46.37 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 123.149 0.58 . . . . 0.0 110.402 -175.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.62 141.22 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.462 1.505 . . . . 0.0 107.462 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -77.93 134.55 37.86 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.49 150.01 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.41 0.684 . . . . 0.0 110.331 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.77 135.62 53.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.065 1.346 . . . . 0.0 108.24 177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.23 90.22 6.08 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 124.374 1.07 . . . . 0.0 110.604 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.3 mt -47.59 128.31 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.566 1.547 . . . . 0.0 109.864 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.43 12.82 64.33 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-O 118.736 -1.035 . . . . 0.0 114.718 169.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -127.66 -90.96 0.71 Allowed Glycine 0 C--N 1.336 0.57 0 N-CA-C 108.047 -2.021 . . . . 0.0 108.047 174.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -62.99 -43.44 98.79 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.848 0.824 . . . . 0.0 109.226 169.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.3 t70 56.88 -17.55 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 130.562 3.545 . . . . 0.0 117.921 169.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -140.62 18.29 2.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.558 1.543 . . . . 0.0 110.778 -170.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -141.72 161.87 36.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.05 1.34 . . . . 0.0 108.369 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.1 p -132.08 153.29 38.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.616 1.166 . . . . 0.0 110.18 -169.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -141.54 -172.73 3.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.651 2.381 . . . . 0.0 107.665 -170.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 m -129.58 140.64 51.15 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.03 152.78 48.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.42 1.488 . . . . 0.0 108.215 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -72.07 138.08 47.57 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 169.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.2 tp -63.16 -27.2 69.21 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 169.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.5 m -64.06 -1.51 1.56 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.863 1.665 . . . . 0.0 113.709 172.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.45 10.77 4.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.955 1.302 . . . . 0.0 110.354 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -113.92 148.6 16.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 O-C-N 120.888 -1.132 . . . . 0.0 108.563 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -134.49 114.86 13.29 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.16 154.24 41.17 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.382 0.61 . . . . 0.0 110.84 -176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.9 mt -121.65 132.93 69.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.067 1.347 . . . . 0.0 107.395 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.96 38.77 21.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.979 1.712 . . . . 0.0 113.911 173.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.4 m -89.04 174.53 0.79 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 123.43 0.692 . . . . 0.0 111.148 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.81 162.63 23.57 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.897 0.856 . . . . 0.0 110.108 170.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.94 -38.8 89.85 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.631 1.172 . . . . 0.0 110.891 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -72.54 -31.03 64.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.644 0.656 . . . . 0.0 110.912 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.9 m -69.26 -46.96 66.0 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 173.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -44.68 95.15 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -62.48 -41.98 99.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.416 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.15 96.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.117 0.871 . . . . 0.0 111.074 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -66.76 -52.36 45.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.59 -44.8 81.41 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.188 0.595 . . . . 0.0 110.478 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.59 -36.72 85.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.443 0.697 . . . . 0.0 111.872 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -68.68 -41.0 79.85 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.796 0.438 . . . . 0.0 110.713 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.89 -30.58 70.78 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.469 -0.769 . . . . 0.0 110.903 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -64.44 -52.89 55.79 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 119.298 0.954 . . . . 0.0 108.663 169.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -52.5 -42.55 64.41 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.277 0.944 . . . . 0.0 111.569 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.8 tp -58.42 -52.92 63.59 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.231 1.012 . . . . 0.0 110.296 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.62 -25.97 68.19 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.409 0.684 . . . . 0.0 112.69 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -72.17 -12.45 61.19 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 119.097 0.862 . . . . 0.0 111.64 175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.52 36.76 32.85 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 118.907 -0.941 . . . . 0.0 111.041 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 60.34 -179.95 0.1 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.204 2.202 . . . . 0.0 113.422 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -134.31 -41.45 0.8 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.735 0.814 . . . . 0.0 110.685 169.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.25 1.118 0 CA-C-N 118.935 0.789 . . . . 0.0 109.477 170.189 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ptm . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.611 0.244 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.78 160.62 42.03 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.974 1.31 . . . . 0.0 108.814 173.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -133.89 18.91 3.81 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.378 1.071 . . . . 0.0 112.189 -171.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 p -146.44 45.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 125.017 1.327 . . . . 0.0 107.502 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.8 -24.28 35.0 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.672 1.589 . . . . 0.0 114.788 -169.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.01 5.43 16.43 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.889 -1.132 . . . . 0.0 111.861 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -106.17 17.61 23.25 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.99 1.316 . . . . 0.0 111.581 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -57.19 -18.52 16.0 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.542 1.137 . . . . 0.0 111.621 169.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 p -50.22 -51.76 41.58 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.891 1.676 . . . . 0.0 110.061 169.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 mtm-85 -70.7 -33.43 70.87 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -61.85 -39.13 90.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 119.346 0.976 . . . . 0.0 111.017 174.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -39.95 96.06 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.361 0.528 . . . . 0.0 110.739 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -64.5 -45.88 85.36 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 119.115 -0.469 . . . . 0.0 110.706 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.6 mt -55.43 -49.76 70.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 123.828 0.851 . . . . 0.0 109.2 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.7 -34.48 71.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.825 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 p -104.55 -10.19 17.79 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -172.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -134.61 -15.31 2.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -172.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -122.15 -43.92 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 119.9 1.227 . . . . 0.0 110.298 -171.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.1 pt -119.85 15.28 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.779 0.832 . . . . 0.0 111.892 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.93 -33.5 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.952 0.901 . . . . 0.0 112.098 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -89.9 -8.03 52.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.981 0.912 . . . . 0.0 112.136 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 173.25 11.53 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.653 0.781 . . . . 0.0 111.52 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -150.55 -40.47 0.13 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.221 1.008 . . . . 0.0 110.309 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -133.0 172.39 12.69 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.754 1.221 . . . . 0.0 108.593 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.45 -37.69 65.48 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.047 1.739 . . . . 0.0 113.601 -172.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.15 -40.97 86.78 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -72.26 -35.66 68.82 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.806 -0.559 . . . . 0.0 110.177 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -64.82 -41.32 95.85 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.958 0.799 . . . . 0.0 109.741 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.51 -43.54 98.58 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 119.253 -0.403 . . . . 0.0 110.341 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.1 mmt -62.97 -39.21 94.0 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.98 175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.15 -50.83 62.62 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 119.227 0.921 . . . . 0.0 110.973 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -57.39 -49.64 75.55 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.863 0.331 . . . . 0.0 111.509 172.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -60.02 -47.4 86.02 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.466 0.706 . . . . 0.0 110.651 -173.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -64.9 -43.27 93.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.214 0.461 . . . . 0.0 110.12 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -64.05 -46.04 86.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.858 0.299 . . . . 0.0 110.467 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.0 -43.65 87.1 Favored 'General case' 0 CA--C 1.523 -0.092 0 C-N-CA 123.172 0.589 . . . . 0.0 110.126 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.83 -32.75 70.95 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.675 0.671 . . . . 0.0 112.005 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.94 -21.43 40.44 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.0 m -100.59 -46.29 5.24 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.259 0.624 . . . . 0.0 112.23 -169.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.1 mt -68.92 127.29 32.58 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 -169.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.99 37.45 0.6 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.846 0.858 . . . . 0.0 112.494 -171.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -58.64 154.33 35.89 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.671 0.789 . . . . 0.0 112.626 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.08 142.39 65.03 Favored 'Cis proline' 0 CA--C 1.536 0.622 0 CA-C-N 119.149 0.732 . . . . 0.0 111.557 -4.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.99 157.52 44.28 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.218 1.007 . . . . 0.0 108.788 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.7 ttt -87.62 144.35 26.72 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.142 -0.974 . . . . 0.0 109.579 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 167.87 31.52 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.278 -0.889 . . . . 0.0 111.336 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -96.35 124.6 40.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 169.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -86.13 100.1 11.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.301 -2.111 . . . . 0.0 105.301 169.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -87.44 67.79 9.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -63.78 124.73 22.23 Favored 'General case' 0 N--CA 1.46 0.026 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -171.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -81.46 125.48 30.5 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 170.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.6 m -146.2 -178.49 6.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.308 1.443 . . . . 0.0 109.387 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 74.75 156.88 0.18 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.17 1.788 . . . . 0.0 111.217 171.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.4 -27.23 67.29 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.295 -0.878 . . . . 0.0 111.712 175.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -80.5 0.58 33.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.233 1.813 . . . . 0.0 112.937 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m 54.63 37.48 28.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.62 1.168 . . . . 0.0 111.768 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.5 m -72.44 137.03 46.16 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.275 1.83 . . . . 0.0 109.47 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 mm -75.26 130.14 36.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 169.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -126.46 97.85 5.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -75.06 149.64 39.11 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.808 -0.558 . . . . 0.0 111.403 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -139.77 148.51 42.34 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 169.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 m -101.06 127.98 47.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.9 m -140.12 161.15 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.335 1.064 . . . . 0.0 111.527 -169.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.53 116.0 31.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 168.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -73.12 117.72 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mp -87.48 -27.88 22.39 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.414 0.686 . . . . 0.0 111.499 -177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.43 178.79 38.14 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -62.7 149.41 43.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 169.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.26 167.48 10.08 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 123.191 0.596 . . . . 0.0 110.135 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -51.61 154.1 9.72 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.969 2.446 . . . . 0.0 112.841 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.19 -28.19 64.56 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.85 0.86 . . . . 0.0 111.837 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.06 -31.02 70.68 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.873 0.869 . . . . 0.0 111.924 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -93.1 -39.63 10.96 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.331 0.653 . . . . 0.0 109.256 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 67.9 m -70.72 3.09 3.42 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 mt -78.98 -20.21 49.7 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.413 1.485 . . . . 0.0 110.971 169.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -108.22 -38.91 5.63 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.176 0.59 . . . . 0.0 110.524 -169.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -163.86 167.34 20.87 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmt -79.16 124.48 28.37 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 120.84 1.654 . . . . 0.0 108.819 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -130.38 155.64 46.05 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.232 1.013 . . . . 0.0 109.241 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.83 141.27 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.961 1.305 . . . . 0.0 108.073 -174.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -79.09 131.65 36.32 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.6 m -137.19 138.82 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.69 128.82 55.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 -177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -80.25 89.23 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.209 1.004 . . . . 0.0 109.707 -173.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.5 mt -47.66 129.16 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.917 1.687 . . . . 0.0 109.248 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.02 2.88 54.37 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.531 -1.149 . . . . 0.0 114.776 170.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.6 -87.35 1.22 Allowed Glycine 0 C--N 1.337 0.622 0 N-CA-C 107.216 -2.354 . . . . 0.0 107.216 173.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -62.07 -48.27 80.94 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 169.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.8 t70 57.41 -17.76 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 129.865 3.266 . . . . 0.0 116.637 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -145.28 17.97 1.54 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.253 1.821 . . . . 0.0 110.8 -174.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -138.34 164.18 29.94 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.431 1.492 . . . . 0.0 107.54 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.22 153.29 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.52 0.728 . . . . 0.0 112.544 -167.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -118.5 177.12 4.94 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.427 2.691 . . . . 0.0 108.574 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.9 m -127.36 136.56 52.06 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 169.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.0 150.25 52.21 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.238 1.415 . . . . 0.0 108.424 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -73.33 136.56 44.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.4 tp -59.12 -24.73 63.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.066 0.546 . . . . 0.0 110.938 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -60.84 -19.37 59.76 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.545 1.538 . . . . 0.0 113.142 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.72 14.64 18.8 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 125.046 1.338 . . . . 0.0 109.376 -176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.21 144.61 20.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 O-C-N 120.642 -1.286 . . . . 0.0 108.754 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -132.9 112.4 11.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 172.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.4 153.19 43.95 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.733 -0.604 . . . . 0.0 110.539 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.7 mt -121.46 131.18 73.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 48.56 37.26 8.85 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.149 1.78 . . . . 0.0 113.44 172.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.522 HG21 HG21 ' A' ' 109' ' ' THR . 3.2 p -95.29 172.03 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.462 0.705 . . . . 0.0 110.742 -175.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.61 158.69 29.27 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 122.047 0.927 . . . . 0.0 110.451 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.73 -39.97 90.64 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 124.241 1.016 . . . . 0.0 110.855 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.78 -32.08 63.61 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.141 0.428 . . . . 0.0 110.905 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.522 HG21 HG21 ' A' ' 105' ' ' VAL . 87.4 m -67.85 -46.68 71.07 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 172.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -45.43 94.78 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -61.13 -41.73 97.26 Favored 'General case' 0 C--O 1.23 0.05 0 CA-C-N 118.844 0.747 . . . . 0.0 111.729 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.28 99.19 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.439 0.563 . . . . 0.0 111.071 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.2 mt -67.67 -50.41 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 C-N-CA 123.398 0.679 . . . . 0.0 109.241 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.0 71.23 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.397 0.679 . . . . 0.0 110.34 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -64.09 -33.35 75.56 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 122.964 0.506 . . . . 0.0 112.275 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -66.32 -40.63 90.05 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.305 -0.872 . . . . 0.0 110.432 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.87 -36.29 80.02 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.475 -0.766 . . . . 0.0 110.673 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -68.63 -40.66 80.2 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.309 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -55.88 -37.52 68.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.833 1.253 . . . . 0.0 111.04 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -50.75 71.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.494 0.718 . . . . 0.0 109.782 173.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.5 -21.02 59.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.534 0.734 . . . . 0.0 112.667 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -81.03 1.17 32.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.03 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.37 32.84 76.19 Favored Glycine 0 CA--C 1.53 0.979 0 CA-C-O 118.453 -1.193 . . . . 0.0 112.969 171.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 59.66 172.26 0.08 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.387 2.275 . . . . 0.0 114.672 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -138.22 -3.31 1.77 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.351 1.061 . . . . 0.0 112.509 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 . . . . . 0 C--O 1.251 1.135 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.323 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.28 -19.6 62.32 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.618 0.767 . . . . 0.0 112.924 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m 53.1 27.08 5.43 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.739 1.616 . . . . 0.0 113.478 -174.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -60.28 154.17 4.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 169.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -56.85 120.98 8.81 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -172.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 38.0 62.12 0.98 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 126.817 2.047 . . . . 0.0 112.232 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -42.81 -38.83 2.27 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.911 1.284 . . . . 0.0 113.777 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.32 -36.46 58.28 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.513 -0.742 . . . . 0.0 111.959 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.7 m -65.55 -33.35 75.71 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.566 0.621 . . . . 0.0 109.586 170.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -59.54 5.27 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 173.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -55.15 -45.66 75.68 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.403 0.547 . . . . 0.0 110.535 -175.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -58.03 -55.72 31.24 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.309 0.644 . . . . 0.0 111.742 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -79.07 -30.37 43.92 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.396 -0.815 . . . . 0.0 111.659 -169.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.35 -52.11 64.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.68 -41.93 98.23 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.634 0.374 . . . . 0.0 111.652 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.4 p -87.83 -13.64 41.61 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -172.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -133.08 -17.39 2.4 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -169.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -121.28 -42.92 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 119.41 1.004 . . . . 0.0 110.048 -169.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 pt -117.19 15.65 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 123.481 0.712 . . . . 0.0 111.74 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.56 -33.93 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 124.142 0.977 . . . . 0.0 111.744 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -87.03 -8.88 56.71 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.099 0.96 . . . . 0.0 112.198 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.23 172.22 12.19 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.469 0.652 . . . . 0.0 111.701 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -149.85 -33.03 0.19 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.397 1.079 . . . . 0.0 111.153 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -142.85 173.84 11.19 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.32 1.448 . . . . 0.0 107.468 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -63.66 -27.72 69.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -65.64 -40.18 92.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.677 0.671 . . . . 0.0 109.409 172.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -71.03 -31.23 67.65 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.679 -0.638 . . . . 0.0 110.599 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -65.13 -44.54 88.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.211 0.914 . . . . 0.0 109.239 174.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.19 94.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.573 0.349 . . . . 0.0 110.552 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 mmt -64.76 -38.37 90.76 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.225 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.08 -51.13 60.22 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-N 119.445 1.02 . . . . 0.0 110.798 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -57.53 -47.97 80.55 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 122.591 0.356 . . . . 0.0 111.515 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -60.89 -47.34 86.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.126 0.571 . . . . 0.0 110.271 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -67.06 -40.61 87.14 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.705 0.684 . . . . 0.0 110.67 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -63.51 -47.07 83.23 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.247 0.476 . . . . 0.0 110.264 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mp -68.49 -40.53 80.87 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.685 -0.674 . . . . 0.0 110.041 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -35.07 73.49 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 111.768 175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -78.34 -22.85 47.39 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.3 m -100.25 -46.56 5.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -169.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -69.98 132.44 45.94 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.595 0.758 . . . . 0.0 110.214 -169.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.96 24.58 0.4 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.611 1.164 . . . . 0.0 113.56 -176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -58.49 155.21 29.64 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.178 -0.951 . . . . 0.0 111.767 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -65.62 144.3 63.17 Favored 'Cis proline' 0 C--N 1.351 0.702 0 CA-C-N 119.834 0.977 . . . . 0.0 111.457 -3.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -147.49 167.22 25.02 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.177 0.591 . . . . 0.0 109.838 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ttt -91.71 147.0 23.31 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.395 -0.816 . . . . 0.0 109.246 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.99 177.36 31.48 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 173.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -102.32 124.73 48.41 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 169.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.42 103.1 10.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 169.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -88.28 64.54 7.66 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.554 1.942 . . . . 0.0 106.208 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.01 133.72 55.03 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -55.14 140.66 37.64 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.935 1.243 . . . . 0.0 108.71 169.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.2 m -53.67 149.9 7.76 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.371 0.605 . . . . 0.0 111.038 172.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -57.74 -31.4 66.43 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.615 1.166 . . . . 0.0 111.84 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -135.29 166.22 23.64 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.234 1.814 . . . . 0.0 106.431 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 56' ' ' SER . 4.2 m 60.17 -170.57 0.14 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.603 0.761 . . . . 0.0 109.68 -171.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.637 ' H ' HG22 ' A' ' 55' ' ' THR . 15.7 m -122.59 21.48 10.12 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.899 1.28 . . . . 0.0 111.359 -173.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 p -72.07 -174.23 1.21 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.265 1.426 . . . . 0.0 109.928 170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.1 mm -130.3 142.13 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 -171.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -113.44 149.24 34.5 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.08 126.01 40.37 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 121.32 -0.862 . . . . 0.0 109.314 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -137.86 130.75 30.03 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.6 m -79.12 130.22 35.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 m -142.43 160.77 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 122.136 0.97 . . . . 0.0 111.937 -169.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -110.94 122.28 47.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 104.875 -2.269 . . . . 0.0 104.875 168.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 m -83.37 139.51 17.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.92 -19.6 19.41 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.131 0.572 . . . . 0.0 110.722 -178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.58 171.55 20.85 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.2 mtp -65.09 151.1 46.91 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.6 166.37 9.51 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 123.202 0.601 . . . . 0.0 110.338 172.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.66 155.53 7.61 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.034 2.489 . . . . 0.0 112.928 170.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.78 -29.42 62.65 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.835 0.854 . . . . 0.0 111.848 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.12 -31.9 71.59 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.69 0.796 . . . . 0.0 111.934 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -91.28 -38.39 12.69 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 76.7 m -69.56 6.51 1.07 Allowed 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.28 -17.7 51.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.511 1.524 . . . . 0.0 111.804 169.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -117.75 -28.34 6.01 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.924 0.784 . . . . 0.0 113.018 -169.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -161.13 169.75 21.74 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.6 mmt -83.65 127.99 34.19 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -132.01 156.2 46.67 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.521 0.728 . . . . 0.0 110.086 -174.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -141.48 139.54 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.955 1.302 . . . . 0.0 108.596 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.89 136.87 38.86 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 169.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.6 p -149.88 144.79 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.301 -0.249 . . . . 0.0 110.763 -168.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.81 140.06 47.8 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 124.747 1.219 . . . . 0.0 108.839 -175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.11 114.84 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.964 0.906 . . . . 0.0 110.845 -175.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.7 mt -75.64 -28.05 19.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.83 -35.1 73.46 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.663 1.125 . . . . 0.0 112.88 -173.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.06 -35.99 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 CA-C-O 117.925 -1.486 . . . . 0.0 115.735 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -47.32 66.1 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.227 2.013 . . . . 0.0 109.956 -170.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.9 t70 58.41 -22.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 129.208 3.003 . . . . 0.0 116.78 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -140.66 21.71 2.33 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.611 1.565 . . . . 0.0 111.066 -169.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -135.91 155.32 50.47 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.966 1.306 . . . . 0.0 108.237 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.4 p -138.33 157.96 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 124.036 0.934 . . . . 0.0 111.037 -168.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -140.61 -176.24 4.57 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.735 2.414 . . . . 0.0 108.501 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.49 141.29 51.04 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.71 160.23 38.17 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.84 1.256 . . . . 0.0 108.993 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -75.06 140.27 43.39 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 169.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.49 -28.41 65.36 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 169.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 m -56.6 -24.31 46.81 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.804 2.042 . . . . 0.0 114.064 174.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -108.16 12.05 27.0 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.091 1.356 . . . . 0.0 110.075 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -119.2 151.51 21.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 O-C-N 120.257 -1.527 . . . . 0.0 108.643 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -138.36 134.76 34.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -86.51 154.25 21.24 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.586 0.708 . . . . 0.0 110.668 -173.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.2 mt -122.95 132.52 71.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.29 31.27 9.1 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.868 1.667 . . . . 0.0 114.444 174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 m -82.99 174.26 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 121.22 -0.925 . . . . 0.0 111.135 173.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.33 161.12 17.42 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.986 0.898 . . . . 0.0 109.151 169.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.41 -41.17 98.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.185 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -72.11 -28.56 63.37 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.285 0.493 . . . . 0.0 111.324 -175.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.0 m -69.45 -48.24 61.47 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.768 -0.826 . . . . 0.0 108.768 173.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.83 -41.67 99.43 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.562 0.619 . . . . 0.0 109.773 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -59.26 -44.41 92.42 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.943 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.11 93.71 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 119.042 0.837 . . . . 0.0 111.32 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.92 -50.79 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.184 0.594 . . . . 0.0 109.6 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.79 88.53 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.51 0.596 . . . . 0.0 110.524 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.54 -40.74 97.81 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.364 0.666 . . . . 0.0 111.469 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -62.9 -43.86 97.66 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 119.08 -0.486 . . . . 0.0 109.695 172.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.31 -32.73 74.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.937 0.79 . . . . 0.0 111.676 -176.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -65.52 -49.85 67.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 119.611 1.096 . . . . 0.0 110.703 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -59.26 -42.03 90.2 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.741 0.816 . . . . 0.0 110.806 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.11 -52.54 65.27 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.434 1.894 . . . . 0.0 110.075 175.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.17 -29.39 69.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.567 0.747 . . . . 0.0 112.137 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -70.41 -6.47 35.9 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.1 36.46 72.12 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-N 119.805 1.184 . . . . 0.0 111.621 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -35.55 -65.93 0.22 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 127.891 2.476 . . . . 0.0 115.707 -176.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp 51.11 34.09 10.43 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.384 2.274 . . . . 0.0 112.513 -171.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 127.36 2.264 . . . . 0.0 110.293 -179.603 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.64 118.57 4.99 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 174.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -142.13 32.1 1.55 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.902 1.281 . . . . 0.0 109.745 -171.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -61.55 -31.76 51.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.264 1.026 . . . . 0.0 113.007 -169.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -158.85 -127.41 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 170.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -77.95 45.38 0.52 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.082 2.153 . . . . 0.0 108.447 169.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -25.99 -56.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 129.8 3.24 . . . . 0.0 115.468 -169.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -76.56 -32.9 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -172.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -68.67 -37.58 79.73 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 170.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -68.68 -48.13 64.7 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.558 -177.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.91 -34.76 79.16 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.126 0.876 . . . . 0.0 110.687 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -66.62 -39.28 88.26 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.451 0.569 . . . . 0.0 111.27 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -73.13 -33.27 65.43 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.375 -1.453 . . . . 0.0 111.424 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.1 mt -57.13 -51.09 73.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 169.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -58.18 -33.57 69.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 112.251 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 p -107.1 -10.59 15.85 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -132.65 -14.98 2.78 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.129 0.877 . . . . 0.0 112.882 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mt -121.37 -47.2 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.543 1.065 . . . . 0.0 109.927 -171.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.8 pt -115.69 13.47 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.973 0.806 . . . . 0.0 112.064 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.87 -34.07 36.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.907 0.883 . . . . 0.0 112.022 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.38 -9.85 53.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.107 0.963 . . . . 0.0 112.184 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.71 178.78 7.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.922 0.889 . . . . 0.0 111.643 -175.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.46 -43.22 0.22 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.01 0.924 . . . . 0.0 110.536 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -141.52 171.6 13.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.328 1.451 . . . . 0.0 108.105 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -49.25 -37.76 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.467 1.907 . . . . 0.0 114.751 -169.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -69.17 -42.96 75.19 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.66 0.663 . . . . 0.0 109.54 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -69.54 -32.91 72.01 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.336 0.654 . . . . 0.0 110.29 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -70.04 -40.91 74.85 Favored 'General case' 0 N--CA 1.462 0.154 0 O-C-N 121.528 -0.733 . . . . 0.0 109.043 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.69 -43.38 85.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.243 0.474 . . . . 0.0 110.465 171.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 35.8 mmt -64.72 -38.55 91.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.489 0.586 . . . . 0.0 111.858 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.83 -51.3 57.87 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -58.41 -47.47 83.8 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.288 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -57.89 -53.46 58.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.121 0.568 . . . . 0.0 110.717 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -73.36 -30.61 63.42 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.096 -173.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -63.45 -46.3 86.9 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.142 0.883 . . . . 0.0 110.167 173.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.71 -45.11 87.97 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 118.956 -0.545 . . . . 0.0 109.694 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.71 -33.82 70.62 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.602 0.637 . . . . 0.0 112.02 177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.33 -22.02 45.09 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.27 0.628 . . . . 0.0 112.507 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -99.32 -45.95 5.69 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.118 0.567 . . . . 0.0 111.807 -170.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.01 125.32 25.95 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.905 0.882 . . . . 0.0 109.072 -169.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -82.88 49.73 1.57 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.258 1.423 . . . . 0.0 110.108 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 27.6 p90 -63.72 158.43 60.44 Favored Pre-proline 0 CA--C 1.545 0.788 0 O-C-N 121.239 -0.913 . . . . 0.0 110.661 173.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.74 144.39 64.1 Favored 'Cis proline' 0 C--N 1.35 0.612 0 CA-C-N 119.829 0.975 . . . . 0.0 110.752 -7.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -146.11 161.75 39.47 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttt -90.99 144.68 25.41 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.532 -0.73 . . . . 0.0 109.111 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.43 170.41 32.86 Favored Glycine 0 C--N 1.332 0.353 0 O-C-N 121.509 -0.744 . . . . 0.0 111.871 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -100.6 127.45 46.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -84.03 106.55 15.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -89.8 66.57 7.08 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 125.071 1.348 . . . . 0.0 107.386 173.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.79 112.87 1.79 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -84.15 -34.67 23.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.473 0.579 . . . . 0.0 109.941 175.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 m -73.53 18.05 0.13 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.924 1.29 . . . . 0.0 112.784 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -63.87 -43.18 96.83 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.155 -0.966 . . . . 0.0 112.173 -171.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -159.83 -47.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.072 -0.966 . . . . 0.0 112.413 -169.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 m -144.46 34.63 1.18 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.208 0.913 . . . . 0.0 110.25 -169.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 m 54.62 54.36 9.35 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 122.287 1.042 . . . . 0.0 109.289 -169.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 p -133.88 130.79 38.34 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 127.085 2.154 . . . . 0.0 107.175 -169.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.3 mm -67.19 135.6 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.25 148.76 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 168.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.91 137.61 51.03 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.966 0.506 . . . . 0.0 110.104 -169.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -134.4 139.08 45.33 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 170.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.6 m -94.83 125.59 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -138.9 155.92 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-O 122.199 1.0 . . . . 0.0 110.962 -169.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -105.23 118.84 37.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 104.406 -2.442 . . . . 0.0 104.406 169.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -79.3 140.85 16.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 173.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.06 -24.58 14.56 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.235 0.614 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.43 178.04 35.96 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 93.9 mmm -62.13 150.19 39.28 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 169.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.48 165.93 8.17 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.35 145.78 97.94 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 CA-C-N 120.394 1.177 . . . . 0.0 110.312 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -58.77 -27.91 65.43 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.849 0.86 . . . . 0.0 111.895 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.88 -24.29 66.84 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.859 1.264 . . . . 0.0 112.748 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.53 -8.35 35.42 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.368 0.667 . . . . 0.0 111.301 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -105.31 24.4 12.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.946 0.898 . . . . 0.0 112.537 -169.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.78 -20.13 61.23 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.693 0.797 . . . . 0.0 112.184 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -126.72 -20.7 4.23 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -162.84 161.5 26.01 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 141.39 28.56 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.597 0.759 . . . . 0.0 110.299 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.77 158.3 44.16 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.154 0.982 . . . . 0.0 110.412 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.06 144.83 32.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 125.559 1.544 . . . . 0.0 107.797 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.75 135.18 35.94 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.5 152.01 21.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 123.131 0.572 . . . . 0.0 110.18 -174.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.27 137.04 53.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.68 125.82 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.755 0.422 . . . . 0.0 110.5 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.5 mt -83.37 -22.8 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.51 -43.53 94.07 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.233 0.921 . . . . 0.0 112.571 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.02 -27.62 0.04 OUTLIER Glycine 0 CA--C 1.528 0.858 0 CA-C-O 119.066 -0.852 . . . . 0.0 114.518 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -82.64 36.17 0.48 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.498 1.649 . . . . 0.0 111.288 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.85 -22.2 64.0 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.001 1.32 . . . . 0.0 111.848 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.12 -11.36 29.49 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.432 1.493 . . . . 0.0 113.021 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -135.72 166.21 23.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.867 1.267 . . . . 0.0 109.981 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.8 t -136.85 151.53 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -137.65 178.52 7.04 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 126.433 1.893 . . . . 0.0 109.025 -169.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.2 m -127.66 135.76 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 170.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.94 151.85 49.21 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.052 1.341 . . . . 0.0 107.791 -177.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -64.04 126.66 28.42 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 169.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 m -69.61 -4.72 20.49 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.355 2.262 . . . . 0.0 113.028 173.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.74 12.84 9.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.876 1.67 . . . . 0.0 109.222 177.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -111.13 147.74 14.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 O-C-N 120.467 -1.396 . . . . 0.0 108.609 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.11 112.19 11.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.21 152.1 45.49 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.338 0.59 . . . . 0.0 110.472 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.6 mt -119.43 132.1 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.05 39.39 11.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.072 1.749 . . . . 0.0 113.3 173.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.424 HG21 HG21 ' A' ' 109' ' ' THR . 2.3 p -96.72 171.81 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.469 0.708 . . . . 0.0 110.508 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.22 157.68 36.46 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.328 0.585 . . . . 0.0 110.9 178.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -56.9 -38.32 72.64 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.621 0.768 . . . . 0.0 113.042 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -75.61 -38.12 59.24 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.274 0.943 . . . . 0.0 110.67 -174.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.424 HG21 HG21 ' A' ' 105' ' ' VAL . 27.4 m -60.89 -47.32 86.95 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.153 0.981 . . . . 0.0 109.37 170.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -63.19 -45.18 92.96 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -60.39 -44.9 95.22 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 123.312 0.645 . . . . 0.0 111.17 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.28 95.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.172 0.442 . . . . 0.0 110.588 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.6 -51.48 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.991 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.14 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.086 0.857 . . . . 0.0 110.557 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.09 -41.64 92.94 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.707 0.803 . . . . 0.0 111.348 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -67.11 -41.2 86.6 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.211 0.46 . . . . 0.0 110.697 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.52 -44.92 77.23 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.636 0.653 . . . . 0.0 110.874 -175.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . 0.251 1.8 p90 -76.27 -23.14 54.43 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.523 1.056 . . . . 0.0 111.642 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -66.88 -37.26 84.07 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.736 1.153 . . . . 0.0 109.14 169.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.51 -49.25 75.27 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.478 0.711 . . . . 0.0 109.32 172.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.31 -22.81 67.11 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.182 0.993 . . . . 0.0 112.76 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -69.29 -10.53 58.29 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.993 0.917 . . . . 0.0 112.018 176.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.15 40.25 34.9 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -52.88 156.41 2.03 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.958 1.303 . . . . 0.0 112.512 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -145.88 19.66 1.45 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.486 1.914 . . . . 0.0 109.639 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--O 1.249 1.07 0 C-N-CA 125.614 1.566 . . . . 0.0 108.322 -168.494 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.37 168.36 9.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.116 0.566 . . . . 0.0 111.409 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -128.12 34.93 4.51 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.157 1.383 . . . . 0.0 109.782 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.419 HG22 ' H ' ' A' ' 4' ' ' VAL . 4.0 m -73.53 -13.48 16.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 125.368 1.467 . . . . 0.0 113.227 -172.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -63.36 157.38 23.22 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.212 0.915 . . . . 0.0 111.331 174.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -59.14 -51.61 69.27 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.414 0.685 . . . . 0.0 110.36 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -166.85 172.56 10.26 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 126.916 2.086 . . . . 0.0 106.283 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.06 -17.33 17.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.918 0.887 . . . . 0.0 112.519 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 m -51.58 -39.27 57.55 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.606 1.163 . . . . 0.0 110.992 169.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -67.11 -39.39 86.66 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.215 -0.928 . . . . 0.0 110.385 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -62.99 -38.49 91.4 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.173 0.897 . . . . 0.0 110.513 176.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -65.15 -40.98 95.15 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.11 -0.369 . . . . 0.0 110.962 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -67.87 -36.89 81.06 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.03 -1.044 . . . . 0.0 111.251 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mt -58.61 -53.16 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 171.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.42 -40.38 94.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.08 0.552 . . . . 0.0 111.99 -174.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.3 p -83.77 -9.18 58.99 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.168 1.174 . . . . 0.0 114.168 -169.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -153.5 -24.74 0.14 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 174.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -79.25 -40.67 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 120.472 1.487 . . . . 0.0 109.341 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.7 pt -126.11 15.34 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 123.856 0.862 . . . . 0.0 112.387 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -55.91 -33.58 35.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.539 -0.726 . . . . 0.0 112.265 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.72 -8.11 55.08 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.225 1.01 . . . . 0.0 112.135 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.42 171.86 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.681 -0.637 . . . . 0.0 111.613 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -150.31 -42.54 0.13 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.266 1.026 . . . . 0.0 110.156 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -121.42 178.17 4.91 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.876 1.271 . . . . 0.0 109.045 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -64.08 -37.88 89.04 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.902 -1.124 . . . . 0.0 112.183 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.69 -41.22 88.42 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -66.64 -34.19 77.31 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.008 -0.433 . . . . 0.0 110.503 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -68.22 -43.56 77.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 118.888 0.767 . . . . 0.0 110.12 176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -42.61 85.83 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.709 0.686 . . . . 0.0 110.517 174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -37.47 85.29 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.696 -0.668 . . . . 0.0 112.114 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.57 -51.61 55.44 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 174.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -56.42 -47.36 79.19 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.22 173.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -57.46 -53.49 57.52 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.298 0.499 . . . . 0.0 110.786 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -71.52 -31.65 67.29 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.421 0.555 . . . . 0.0 111.276 -174.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -65.67 -45.74 81.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.81 0.732 . . . . 0.0 110.314 175.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.11 -40.02 90.42 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.58 -0.724 . . . . 0.0 109.683 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.94 -34.42 73.22 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 119.063 0.847 . . . . 0.0 111.505 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.95 -22.09 46.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.166 0.586 . . . . 0.0 112.439 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.7 m -98.86 -47.25 5.35 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.001 0.52 . . . . 0.0 111.834 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.73 120.31 15.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -84.25 48.7 1.53 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.16 0.984 . . . . 0.0 109.99 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.41 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 16.8 p90 -63.45 159.43 50.83 Favored Pre-proline 0 CA--C 1.546 0.817 0 O-C-N 121.581 -0.699 . . . . 0.0 110.763 174.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.52 144.53 58.72 Favored 'Cis proline' 0 C--N 1.35 0.65 0 CA-C-N 119.998 1.035 . . . . 0.0 111.004 -5.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -145.29 160.74 41.05 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -88.58 144.32 26.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.38 171.07 31.63 Favored Glycine 0 C--N 1.334 0.429 0 CA-C-N 119.201 0.909 . . . . 0.0 111.92 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -100.65 124.21 45.92 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 169.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.44 107.09 13.92 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -83.57 64.95 8.2 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.624 1.17 . . . . 0.0 107.865 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -65.73 127.51 32.24 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -78.84 125.06 28.86 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 m -151.94 -166.65 2.55 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.399 1.88 . . . . 0.0 109.062 -175.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 71.26 161.8 0.24 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.608 2.363 . . . . 0.0 111.499 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -59.25 -32.44 70.0 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.877 -0.514 . . . . 0.0 110.605 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -71.65 -9.42 58.22 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.858 1.263 . . . . 0.0 113.289 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.3 m 53.62 60.68 3.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.684 1.129 . . . . 0.0 110.46 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 p -126.17 163.73 22.5 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.418 1.887 . . . . 0.0 109.21 -170.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.3 mm -80.02 128.02 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -107.01 146.85 30.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 104.326 -2.472 . . . . 0.0 104.326 168.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.25 111.79 17.37 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -169.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -118.36 121.77 41.2 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 -175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -77.54 127.82 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.3 m -139.42 159.08 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 122.035 0.922 . . . . 0.0 110.558 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.77 123.2 47.78 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 168.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -85.01 130.52 35.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -88.18 -26.36 22.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.777 0.431 . . . . 0.0 110.418 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.76 176.04 34.42 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 95.0 mtp -64.09 150.69 44.96 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 170.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.31 166.79 15.11 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 169.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.9 149.71 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.628 2.219 . . . . 0.0 112.492 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.54 -30.19 64.99 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.846 0.459 . . . . 0.0 111.284 175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.26 -26.61 68.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.228 1.011 . . . . 0.0 112.52 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -81.49 -31.74 32.77 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.82 -0.55 . . . . 0.0 109.97 172.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 82.9 m -85.32 25.05 1.05 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.284 1.034 . . . . 0.0 113.238 -169.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -19.95 60.69 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.33 1.052 . . . . 0.0 112.71 -175.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -133.35 -23.9 1.86 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.128 0.971 . . . . 0.0 113.049 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -155.59 158.66 38.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.53 143.85 29.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 175.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.8 158.46 44.19 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.967 0.907 . . . . 0.0 110.323 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.52 139.94 31.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 125.37 1.468 . . . . 0.0 108.022 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -78.78 135.13 37.01 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.8 m -139.22 151.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 123.035 0.534 . . . . 0.0 109.855 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -123.9 133.19 53.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -65.88 130.79 44.49 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt -96.84 -49.21 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.69 -26.94 71.34 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 123.861 0.743 . . . . 0.0 113.072 -170.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.74 50.94 0.57 Allowed Glycine 0 CA--C 1.523 0.543 0 C-N-CA 125.949 1.738 . . . . 0.0 109.588 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 150.69 2.35 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.529 0.731 . . . . 0.0 112.231 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -135.68 23.19 3.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.787 1.235 . . . . 0.0 110.101 176.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.4 t70 50.48 37.69 16.46 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.899 1.68 . . . . 0.0 111.665 -172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -137.15 163.16 31.49 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.773 1.629 . . . . 0.0 110.073 -173.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t -134.19 153.88 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 125.85 1.66 . . . . 0.0 108.062 -169.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -139.89 -177.27 4.9 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.917 2.087 . . . . 0.0 108.969 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 m -129.49 139.56 51.54 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 171.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 161.77 28.64 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.877 1.671 . . . . 0.0 107.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -85.05 144.42 28.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 174.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.51 -30.59 70.72 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 168.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.3 m -62.2 -13.17 24.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.576 1.951 . . . . 0.0 114.933 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -131.73 19.52 4.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 120.248 1.386 . . . . 0.0 112.39 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.07 152.5 13.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 125.651 1.581 . . . . 0.0 108.143 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.47 134.4 33.95 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 169.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.83 158.12 29.63 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.808 0.813 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -124.4 131.82 72.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.64 41.2 13.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.887 1.675 . . . . 0.0 113.143 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 109' ' ' THR . 2.3 p -98.38 171.47 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.513 0.725 . . . . 0.0 110.396 -178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 157.89 37.22 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.53 0.681 . . . . 0.0 110.802 178.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.66 -38.01 74.37 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.72 -175.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.93 -38.26 57.86 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.112 0.869 . . . . 0.0 110.601 -174.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.467 HG21 HG21 ' A' ' 105' ' ' VAL . 38.0 m -59.45 -50.29 74.49 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.75 0.82 . . . . 0.0 109.162 170.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -65.31 -38.31 89.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.286 -175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -64.96 -43.03 94.01 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.793 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.77 95.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.923 0.783 . . . . 0.0 110.612 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.8 mt -64.37 -53.62 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.316 0.646 . . . . 0.0 109.59 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.12 91.16 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.23 0.468 . . . . 0.0 110.983 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.48 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 10.2 t70 -62.37 -46.96 86.27 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 110.292 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -63.38 -37.48 87.45 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.471 0.308 . . . . 0.0 111.166 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.16 -42.43 75.93 Favored 'General case' 0 C--O 1.233 0.194 0 O-C-N 121.571 -0.705 . . . . 0.0 110.455 -175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.48 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 3.0 p90 -71.75 -33.47 68.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 118.665 -1.214 . . . . 0.0 110.431 174.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -58.82 -37.88 77.42 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 120.787 1.63 . . . . 0.0 111.725 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 tp -57.83 -48.32 80.1 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.745 -0.597 . . . . 0.0 109.58 170.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.81 -24.15 66.85 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -66.87 -18.01 65.17 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 120.104 1.32 . . . . 0.0 111.674 172.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.28 37.5 41.9 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -169.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 57.31 -169.73 0.1 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.053 1.741 . . . . 0.0 113.437 172.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -129.27 -47.85 1.2 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.043 1.337 . . . . 0.0 109.375 169.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 49.2 p90 . . . . . 0 C--O 1.25 1.083 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 173.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.41 56.4 2.13 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.483 1.113 . . . . 0.0 110.706 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -71.85 22.33 0.05 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.084 2.154 . . . . 0.0 113.094 -175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 p -62.76 -22.74 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.17 1.788 . . . . 0.0 111.898 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.41 148.07 19.98 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.746 1.219 . . . . 0.0 111.796 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -64.59 -53.49 46.86 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 123.537 0.735 . . . . 0.0 110.855 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -173.98 160.54 3.53 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 126.942 2.097 . . . . 0.0 106.691 -173.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.74 -22.75 37.75 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.893 0.877 . . . . 0.0 112.592 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.0 m -51.16 -40.01 57.65 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.371 -0.83 . . . . 0.0 111.286 170.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -67.78 -37.82 82.55 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.936 1.244 . . . . 0.0 110.785 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -60.22 -44.23 95.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 119.024 0.829 . . . . 0.0 109.736 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -63.77 -43.97 94.8 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.166 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -63.17 -42.56 99.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.547 1.067 . . . . 0.0 110.75 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -55.39 -55.33 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.15 -35.59 79.23 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.889 0.876 . . . . 0.0 112.502 -174.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.8 p -102.8 -12.75 17.36 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -137.3 -14.74 1.5 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.31 -47.89 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 120.139 1.336 . . . . 0.0 109.473 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -120.16 13.46 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.471 0.708 . . . . 0.0 112.083 -176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.25 -35.25 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.471 1.108 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.75 -6.47 48.99 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.918 0.887 . . . . 0.0 111.898 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.82 165.71 24.8 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.651 -0.656 . . . . 0.0 111.662 -175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' H ' ' HB2' ' A' ' 27' ' ' GLU . 37.1 tt0 -148.41 -27.69 0.32 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.094 0.958 . . . . 0.0 112.164 -175.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -148.1 174.15 12.23 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.099 1.36 . . . . 0.0 107.909 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -56.19 -36.44 68.39 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 124.846 1.259 . . . . 0.0 114.304 -170.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.96 -37.95 82.19 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 23' ' ' GLU . 48.3 mm-40 -73.07 -34.37 66.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.701 -0.624 . . . . 0.0 110.323 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -43.84 97.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.364 0.983 . . . . 0.0 109.235 172.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.92 93.23 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 118.349 0.522 . . . . 0.0 110.461 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -62.99 -40.48 97.88 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.153 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.06 -51.51 57.9 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.034 0.834 . . . . 0.0 111.106 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -59.18 -45.81 90.04 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.222 -0.418 . . . . 0.0 111.304 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -59.78 -48.86 79.99 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.327 0.651 . . . . 0.0 110.422 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -65.15 -41.2 94.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.558 0.617 . . . . 0.0 110.58 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.68 -46.0 77.07 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.099 0.409 . . . . 0.0 110.568 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.76 -40.2 88.16 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.74 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -59.89 -34.56 73.34 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.932 0.787 . . . . 0.0 111.567 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -78.8 -21.73 47.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.29 0.636 . . . . 0.0 112.404 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.9 m -100.17 -45.72 5.54 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.962 0.505 . . . . 0.0 112.236 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.5 mt -71.3 126.32 29.31 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -170.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.75 44.16 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.238 1.415 . . . . 0.0 110.384 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 6.5 p90 -63.57 156.73 69.82 Favored Pre-proline 0 CA--C 1.545 0.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.938 174.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.03 145.9 76.54 Favored 'Cis proline' 0 C--N 1.349 0.57 0 CA-C-N 119.649 0.91 . . . . 0.0 111.666 -4.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -147.71 167.14 25.4 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.272 1.029 . . . . 0.0 109.381 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 ttt -94.16 145.16 24.89 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.26 -0.9 . . . . 0.0 108.941 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.59 171.0 31.77 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-N 119.753 1.161 . . . . 0.0 111.544 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -101.07 124.52 46.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 169.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.54 102.67 10.75 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -86.85 64.52 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 126.495 1.918 . . . . 0.0 106.317 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -62.65 134.98 57.13 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 -173.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -56.36 141.01 43.51 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 119.404 1.002 . . . . 0.0 108.457 169.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.6 m -54.22 159.05 2.04 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.072 0.949 . . . . 0.0 111.941 175.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -55.81 -29.33 59.58 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.211 1.404 . . . . 0.0 113.483 -171.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -139.88 -49.24 0.47 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.705 0.684 . . . . 0.0 110.566 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 p -65.04 167.58 7.71 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.392 1.077 . . . . 0.0 111.71 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m -81.66 2.74 28.2 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.41 1.084 . . . . 0.0 112.633 177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 p -72.81 -173.61 1.25 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.415 1.486 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 mm -129.43 139.67 51.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -171.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -113.51 149.79 33.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 104.44 -2.43 . . . . 0.0 104.44 169.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.2 126.8 41.7 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 121.229 -0.919 . . . . 0.0 109.224 -169.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -137.35 130.34 30.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.9 m -81.27 128.51 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.8 154.53 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 122.257 1.027 . . . . 0.0 110.587 -171.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.19 126.03 44.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 168.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.8 t -96.4 111.75 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.42 -38.52 59.78 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.137 0.575 . . . . 0.0 110.216 -174.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 165.07 178.24 38.18 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 108.727 -1.749 . . . . 0.0 108.727 -176.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 80.0 mtp -64.4 151.29 44.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.32 0.581 . . . . 0.0 110.109 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.0 165.43 8.2 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.241 1.017 . . . . 0.0 109.897 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -62.83 163.97 20.32 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.838 1.692 . . . . 0.0 111.604 174.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.18 -28.33 64.67 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.976 0.91 . . . . 0.0 112.166 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.33 -31.2 71.78 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.436 0.694 . . . . 0.0 111.888 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -86.89 -43.65 12.27 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.0 m -71.85 2.65 5.16 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.04 -20.09 53.08 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.237 1.415 . . . . 0.0 110.837 169.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -106.87 -41.82 5.1 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.553 0.741 . . . . 0.0 110.02 -169.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -165.4 166.41 18.55 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.166 1.386 . . . . 0.0 107.544 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -79.47 125.92 30.18 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 119.905 1.23 . . . . 0.0 108.514 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -134.83 158.42 44.25 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.431 1.093 . . . . 0.0 109.485 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -140.99 140.98 32.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.989 1.315 . . . . 0.0 108.005 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -80.15 131.53 35.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 171.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 m -137.95 151.27 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.72 0.808 . . . . 0.0 109.324 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.67 126.85 48.43 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.28 120.38 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.7 mt -80.76 -24.85 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 123.349 0.66 . . . . 0.0 109.263 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.29 -34.36 89.7 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.935 0.779 . . . . 0.0 113.185 -171.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.48 -44.52 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 CA-C-O 118.753 -1.026 . . . . 0.0 113.606 -174.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -67.51 -51.55 49.64 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.019 1.409 . . . . 0.0 110.816 -172.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.1 t70 58.18 -21.38 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 129.476 3.11 . . . . 0.0 117.108 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -140.72 18.09 2.34 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.803 1.241 . . . . 0.0 112.002 -169.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -140.24 156.89 46.31 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.344 1.058 . . . . 0.0 108.518 171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.5 t -132.28 147.12 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.335 1.054 . . . . 0.0 109.045 -168.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -142.04 -161.11 1.18 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.924 1.69 . . . . 0.0 108.986 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.9 m -129.14 143.62 50.92 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.242 0.928 . . . . 0.0 109.721 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.19 156.92 45.57 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.985 1.714 . . . . 0.0 108.807 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -72.1 137.75 47.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 169.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.22 -29.32 68.66 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 m -61.96 -15.89 47.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.833 1.653 . . . . 0.0 113.362 176.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.89 12.34 16.85 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.469 1.108 . . . . 0.0 109.088 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.91 146.35 18.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.507 -1.371 . . . . 0.0 108.97 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -133.66 113.61 12.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 170.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.24 152.47 44.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.417 0.627 . . . . 0.0 110.26 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -119.49 132.36 69.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 47.62 39.46 9.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.022 1.729 . . . . 0.0 113.176 173.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.428 HG21 HG21 ' A' ' 109' ' ' THR . 3.7 p -95.86 173.22 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.668 0.787 . . . . 0.0 110.37 -175.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.34 158.83 25.43 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 122.142 0.972 . . . . 0.0 110.552 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.15 -41.95 97.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.761 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -74.81 -27.8 60.44 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.368 0.531 . . . . 0.0 110.71 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.428 HG21 HG21 ' A' ' 105' ' ' VAL . 31.2 m -69.55 -47.69 62.81 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 173.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.74 -44.73 96.3 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.74 -43.06 98.41 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.137 0.575 . . . . 0.0 111.517 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.38 99.49 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.868 0.758 . . . . 0.0 111.227 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.2 mt -66.08 -50.25 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.78 74.86 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.045 0.538 . . . . 0.0 110.379 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.402 ' HA ' ' CD2' ' A' ' 118' ' ' TYR . 8.0 t70 -65.43 -36.97 85.54 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -67.14 -36.15 81.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.928 -0.483 . . . . 0.0 110.778 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.19 -31.48 71.91 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.273 -0.892 . . . . 0.0 110.992 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 115' ' ' ASP . 12.6 m-30 -61.73 -51.04 69.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.536 1.062 . . . . 0.0 109.253 171.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -57.96 -41.25 82.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.23 1.012 . . . . 0.0 111.555 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.07 -51.36 69.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.396 1.078 . . . . 0.0 110.4 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.78 -31.2 72.29 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.915 0.486 . . . . 0.0 111.866 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -77.87 0.13 25.18 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.823 1.249 . . . . 0.0 112.656 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.58 32.26 64.66 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-O 118.608 -1.106 . . . . 0.0 113.087 170.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 62.9 158.89 0.07 Allowed 'General case' 0 C--N 1.344 0.362 0 C-N-CA 128.342 2.657 . . . . 0.0 115.0 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -145.68 10.8 1.24 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.612 0.765 . . . . 0.0 112.478 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 117.304 -1.332 . . . . 0.0 109.403 172.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.89 39.13 0.13 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.146 1.379 . . . . 0.0 112.173 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -69.19 13.91 0.1 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.112 1.765 . . . . 0.0 114.341 -172.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.7 t -63.12 -25.96 39.79 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.222 1.009 . . . . 0.0 109.351 170.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -146.7 -67.92 0.27 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.984 0.811 . . . . 0.0 112.597 169.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -119.73 16.15 12.72 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.516 1.053 . . . . 0.0 113.313 -169.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 42.0 t0 42.13 -118.18 0.43 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 126.343 1.857 . . . . 0.0 111.942 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.31 -22.31 63.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -169.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -60.15 -42.36 94.74 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.559 0.618 . . . . 0.0 110.295 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -81.42 -45.36 16.17 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.188 -175.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -65.28 -33.98 77.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.445 1.021 . . . . 0.0 111.932 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -62.47 -49.52 75.08 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 119.51 1.05 . . . . 0.0 109.764 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -59.44 -43.47 93.12 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.667 0.667 . . . . 0.0 110.824 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.04 -54.69 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.21 -42.46 98.63 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.526 -173.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -100.58 -13.39 18.62 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.244 0.929 . . . . 0.0 113.209 -169.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 -19.96 5.76 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.109 0.868 . . . . 0.0 112.698 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 mt -116.47 -48.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 119.658 1.117 . . . . 0.0 110.283 -170.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.5 pt -115.73 11.83 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.064 0.847 . . . . 0.0 112.46 -176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.96 -35.34 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 124.363 1.065 . . . . 0.0 112.616 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.52 -8.34 47.81 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.113 0.965 . . . . 0.0 112.022 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 176.93 9.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.659 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -144.98 -44.44 0.23 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.929 0.892 . . . . 0.0 110.737 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -139.74 172.72 12.38 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.604 1.162 . . . . 0.0 109.075 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -37.63 26.8 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -169.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -69.79 -42.66 73.45 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -70.22 -35.79 74.11 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.333 0.653 . . . . 0.0 110.087 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -68.14 -41.64 81.36 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 121.698 -0.626 . . . . 0.0 109.328 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.72 91.13 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.774 0.43 . . . . 0.0 110.533 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.0 mmt -63.47 -39.78 95.37 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.753 0.706 . . . . 0.0 111.73 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.87 -50.59 62.67 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 119.195 0.907 . . . . 0.0 111.118 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -57.52 -49.02 77.68 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 122.969 0.507 . . . . 0.0 111.173 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -60.78 -47.31 86.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.647 0.779 . . . . 0.0 110.554 -175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -65.28 -43.46 91.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.583 0.629 . . . . 0.0 110.34 -177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.23 -45.75 86.81 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.008 0.367 . . . . 0.0 110.365 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.67 -44.27 82.27 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.781 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -59.5 -34.35 72.48 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 118.879 0.763 . . . . 0.0 111.898 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -77.4 -22.86 50.95 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.169 0.588 . . . . 0.0 112.56 177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -100.23 -45.28 5.67 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.022 0.529 . . . . 0.0 112.168 -169.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.17 125.9 27.84 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.869 0.867 . . . . 0.0 108.698 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -83.23 47.19 1.21 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.202 1.401 . . . . 0.0 110.232 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 29.7 p90 -64.65 159.0 64.94 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 121.287 -0.883 . . . . 0.0 110.644 175.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.46 144.78 64.53 Favored 'Cis proline' 0 C--N 1.349 0.59 0 CA-C-N 119.789 0.96 . . . . 0.0 110.721 -8.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.11 164.35 32.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.1 ttt -93.01 145.54 24.29 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.474 -0.766 . . . . 0.0 109.075 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.85 170.95 33.16 Favored Glycine 0 C--N 1.333 0.364 0 O-C-N 121.481 -0.762 . . . . 0.0 111.907 174.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -99.7 124.08 44.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 169.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -85.59 106.09 16.64 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.246 -2.502 . . . . 0.0 104.246 169.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -83.99 63.71 7.75 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -65.89 134.63 53.43 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -173.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -77.32 90.57 3.77 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 169.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -150.79 5.36 0.5 Allowed 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -62.88 160.95 13.62 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.257 0.935 . . . . 0.0 109.111 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -53.92 -35.57 61.83 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.485 0.584 . . . . 0.0 111.782 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.02 5.2 5.46 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.469 1.908 . . . . 0.0 113.808 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.2 m 56.09 49.06 16.33 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.455 1.502 . . . . 0.0 110.541 -170.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.1 p -128.25 179.2 5.75 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 125.504 1.522 . . . . 0.0 109.057 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.93 140.93 18.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 122.304 1.049 . . . . 0.0 108.345 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -132.87 141.43 48.41 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.112 2.565 . . . . 0.0 104.38 176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -110.82 99.9 8.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -168.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -92.87 138.05 31.83 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 172.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.7 m -97.57 125.18 42.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -139.21 157.63 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 122.215 1.007 . . . . 0.0 110.611 -169.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -105.54 122.36 45.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -81.75 135.75 24.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 173.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -93.7 -25.21 17.56 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 122.937 0.495 . . . . 0.0 110.503 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 159.63 176.74 32.04 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 -178.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.7 mmm -61.46 148.57 41.42 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.07 166.89 11.08 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.21 0.604 . . . . 0.0 110.501 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.17 155.41 9.13 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 123.049 2.5 . . . . 0.0 112.834 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -58.01 -32.44 67.93 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.251 0.62 . . . . 0.0 111.613 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.6 -27.46 66.93 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.104 0.562 . . . . 0.0 112.054 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -80.05 -40.78 26.99 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 171.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 80.0 m -78.22 8.21 5.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.687 0.795 . . . . 0.0 112.834 -172.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -21.95 59.51 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.629 1.971 . . . . 0.0 111.168 -176.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -124.85 -27.54 3.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.391 0.677 . . . . 0.0 112.72 -172.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -160.41 162.18 33.21 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.93 130.17 35.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.474 1.034 . . . . 0.0 108.973 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -137.12 158.38 44.57 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.895 0.878 . . . . 0.0 110.331 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 m -138.22 141.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 125.701 1.6 . . . . 0.0 107.596 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -78.41 135.03 37.33 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.0 m -141.07 149.3 20.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -174.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.84 129.08 49.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.34 138.69 57.79 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.0 mt -105.07 -48.48 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.57 1.148 . . . . 0.0 108.855 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.9 -27.31 71.05 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 123.89 0.757 . . . . 0.0 113.285 -169.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.19 54.06 0.52 Allowed Glycine 0 CA--C 1.522 0.501 0 C-N-CA 126.789 2.137 . . . . 0.0 108.304 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -53.22 154.56 3.11 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.927 0.891 . . . . 0.0 111.946 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -132.76 21.52 4.22 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.889 1.276 . . . . 0.0 110.159 173.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.3 t70 50.55 36.77 14.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.044 1.738 . . . . 0.0 111.824 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -139.02 164.11 30.62 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.721 1.609 . . . . 0.0 110.36 -172.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.0 p -129.33 155.4 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 126.067 1.747 . . . . 0.0 109.731 -169.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -142.02 -177.6 5.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.205 2.202 . . . . 0.0 108.346 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 m -129.84 136.89 50.09 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 174.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.34 152.52 48.06 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.256 1.423 . . . . 0.0 108.181 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -71.52 135.72 47.2 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 170.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.96 -28.52 67.72 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 169.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -61.55 -11.66 12.05 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.986 2.115 . . . . 0.0 113.815 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -131.7 16.81 4.79 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.573 1.149 . . . . 0.0 110.06 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -105.26 146.36 12.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 173.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -132.6 105.06 6.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.62 150.05 49.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.156 0.503 . . . . 0.0 110.332 -176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.2 mt -118.75 132.5 68.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.45 39.49 9.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.028 1.731 . . . . 0.0 113.124 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.436 HG21 HG21 ' A' ' 109' ' ' THR . 2.7 p -96.43 171.41 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 123.626 0.77 . . . . 0.0 110.434 -174.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.13 159.11 26.9 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.055 0.931 . . . . 0.0 110.648 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.83 -41.07 95.05 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.379 1.071 . . . . 0.0 110.822 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -74.18 -28.98 61.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.365 0.529 . . . . 0.0 110.7 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.436 HG21 HG21 ' A' ' 105' ' ' VAL . 32.7 m -69.63 -47.45 63.39 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.23 -44.53 97.12 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.81 -44.33 94.05 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.34 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.04 99.2 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.251 0.932 . . . . 0.0 111.5 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.94 -50.47 74.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.98 -47.69 82.22 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.194 0.598 . . . . 0.0 109.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.576 1.151 . . . . 0.0 111.364 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -66.3 -43.0 87.5 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.718 0.407 . . . . 0.0 110.654 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.07 -35.56 80.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.696 0.68 . . . . 0.0 111.277 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.93 -39.15 83.55 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 119.189 0.904 . . . . 0.0 110.864 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -63.01 -43.66 98.15 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.58 -49.83 69.46 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 109.966 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.47 -25.79 65.16 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.209 1.004 . . . . 0.0 112.982 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -67.35 -18.79 65.29 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 111.926 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 94.62 37.51 5.26 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -173.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -51.57 161.85 0.45 Allowed 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.673 1.589 . . . . 0.0 113.451 173.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -139.0 -1.69 1.75 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.416 1.087 . . . . 0.0 111.846 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.496 1.919 . . . . 0.0 107.405 174.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.07 77.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.898 0.479 . . . . 0.0 111.541 -178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m 52.66 27.17 4.96 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.643 1.577 . . . . 0.0 114.006 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -76.77 -24.62 15.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.407 1.083 . . . . 0.0 112.012 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.66 146.08 54.87 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.355 0.525 . . . . 0.0 110.33 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -45.28 90.36 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.991 -0.443 . . . . 0.0 109.932 169.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -174.41 173.52 2.96 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 128.552 2.741 . . . . 0.0 105.093 -173.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.88 -3.37 1.14 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.828 1.251 . . . . 0.0 113.936 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -41.22 76.21 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.557 1.143 . . . . 0.0 110.677 172.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.0 mtt-85 -67.16 -40.83 86.71 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.664 -0.648 . . . . 0.0 109.968 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.1 -38.89 92.7 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -62.77 -47.96 81.24 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.566 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -60.86 -44.35 97.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.646 1.112 . . . . 0.0 110.733 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.6 mt -52.75 -57.81 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.28 -36.84 82.39 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.7 p -98.66 -10.99 22.47 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -169.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.0 -18.84 0.5 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.1 mt -91.13 -47.5 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 CA-C-N 120.987 1.721 . . . . 0.0 109.876 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.43 14.25 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 123.838 0.855 . . . . 0.0 112.165 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -53.87 -35.08 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.235 1.014 . . . . 0.0 112.739 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -88.98 -8.36 54.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.972 0.909 . . . . 0.0 112.152 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 173.85 11.15 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.292 0.637 . . . . 0.0 111.92 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -148.33 -45.53 0.15 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.091 0.956 . . . . 0.0 110.061 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -138.89 173.31 11.7 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.3 1.44 . . . . 0.0 108.82 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -44.72 -45.13 9.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.209 2.204 . . . . 0.0 115.009 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.6 -41.37 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -68.4 -33.66 74.63 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.217 0.607 . . . . 0.0 110.332 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -67.75 -44.51 77.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.56 93.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.243 0.474 . . . . 0.0 110.624 173.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.1 mmt -64.75 -36.41 84.22 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.331 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.46 -52.68 51.39 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.37 -1.092 . . . . 0.0 110.37 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -56.37 -48.2 77.32 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.57 0.348 . . . . 0.0 111.443 174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -60.76 -48.98 79.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.922 0.489 . . . . 0.0 110.755 -176.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -66.97 -39.69 87.26 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.504 0.593 . . . . 0.0 110.585 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.57 -47.39 81.73 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.265 0.484 . . . . 0.0 110.312 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.96 -42.76 94.32 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 123.156 0.582 . . . . 0.0 109.635 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.6 -33.44 72.75 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.718 0.69 . . . . 0.0 111.71 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -80.44 -22.08 41.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.155 0.582 . . . . 0.0 112.448 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -100.91 -45.46 5.43 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -169.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.2 mt -68.0 127.41 32.75 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.632 0.773 . . . . 0.0 109.354 -169.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -83.15 43.43 0.87 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.383 1.473 . . . . 0.0 110.378 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -63.44 158.0 60.99 Favored Pre-proline 0 CA--C 1.547 0.828 0 O-C-N 121.042 -1.036 . . . . 0.0 110.264 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -65.75 144.93 66.4 Favored 'Cis proline' 0 C--N 1.348 0.53 0 CA-C-N 119.845 0.98 . . . . 0.0 110.887 -7.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -146.98 161.38 40.91 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -84.67 147.05 27.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.02 169.63 33.13 Favored Glycine 0 N--CA 1.45 -0.383 0 O-C-N 121.41 -0.806 . . . . 0.0 111.652 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -97.44 128.92 44.63 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 169.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -89.08 106.85 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -80.83 76.12 7.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 169.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -80.63 151.19 29.14 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -60.89 148.91 37.94 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 168.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 t -53.29 149.23 7.55 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 124.967 1.307 . . . . 0.0 110.311 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.54 -24.98 66.45 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.06 0.944 . . . . 0.0 111.524 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -124.51 -12.62 7.21 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -169.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.2 p -141.4 175.4 9.69 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 119.632 1.105 . . . . 0.0 110.071 -170.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m -79.68 -9.49 59.65 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.981 0.912 . . . . 0.0 112.589 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.6 p -72.24 166.53 22.24 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.118 1.367 . . . . 0.0 110.892 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 mm -84.1 152.65 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 123.948 0.899 . . . . 0.0 108.726 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -136.45 105.98 6.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.799 -2.297 . . . . 0.0 104.799 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -76.29 134.56 39.73 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.258 0.623 . . . . 0.0 109.965 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -126.79 154.31 44.44 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.4 m -104.71 125.75 51.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.32 160.36 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 121.843 0.83 . . . . 0.0 110.323 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -108.89 120.04 41.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -79.66 136.96 22.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.08 -25.47 15.88 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.748 0.419 . . . . 0.0 111.033 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.74 171.9 28.43 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 108.743 -1.743 . . . . 0.0 108.743 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 74.2 mtp -66.09 152.43 44.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.152 0.501 . . . . 0.0 110.164 170.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.87 164.22 18.18 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 123.409 0.684 . . . . 0.0 110.072 169.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -64.31 160.85 36.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.077 1.851 . . . . 0.0 111.589 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.99 -26.77 49.93 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.906 1.282 . . . . 0.0 113.288 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.5 -31.37 72.51 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.759 0.824 . . . . 0.0 111.747 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -82.41 -46.99 12.8 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 79.2 m -69.84 12.12 0.23 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -169.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.95 -7.52 57.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.611 1.564 . . . . 0.0 111.398 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -118.89 -34.26 3.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.115 0.966 . . . . 0.0 112.733 -169.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -163.5 174.31 12.02 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 128.023 2.529 . . . . 0.0 104.25 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.4 mmt -88.74 138.41 31.45 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 169.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -139.37 158.31 44.37 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.986 -174.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.3 m -142.38 142.49 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.579 1.551 . . . . 0.0 108.18 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -80.09 135.85 36.42 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.14 148.61 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 123.218 0.607 . . . . 0.0 109.914 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.47 132.06 55.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -85.21 90.36 7.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -169.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt -49.99 112.02 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.274 1.43 . . . . 0.0 108.953 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.69 -24.9 3.56 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.795 1.188 . . . . 0.0 113.222 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.83 -36.75 31.7 Favored Glycine 0 CA--C 1.526 0.762 0 CA-C-N 118.462 1.131 . . . . 0.0 110.972 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -134.6 -37.8 0.83 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.676 1.19 . . . . 0.0 110.118 171.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.1 t70 61.02 -20.38 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 128.911 2.884 . . . . 0.0 116.455 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -139.84 22.33 2.47 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.444 1.498 . . . . 0.0 110.984 -171.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -143.18 162.45 35.56 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.993 1.717 . . . . 0.0 108.486 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 p -133.63 151.67 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.316 1.047 . . . . 0.0 110.793 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -133.68 -177.42 4.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.608 2.363 . . . . 0.0 108.271 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -127.58 139.72 52.58 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 170.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.18 157.99 40.25 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 107.532 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -76.51 142.87 40.75 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 105.985 -1.858 . . . . 0.0 105.985 169.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.0 -30.01 70.04 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 168.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.0 m -58.37 -18.65 29.42 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.827 2.051 . . . . 0.0 113.733 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -111.95 6.26 19.33 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.262 1.425 . . . . 0.0 110.344 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.5 mm -112.36 146.17 17.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 O-C-N 120.779 -1.201 . . . . 0.0 108.661 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -130.54 102.58 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.46 150.39 48.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 0.0 110.653 -175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -122.32 133.17 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 49.93 41.84 23.47 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.837 1.655 . . . . 0.0 113.468 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -91.71 174.25 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 123.488 0.715 . . . . 0.0 110.817 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -70.17 163.35 26.54 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.74 0.781 . . . . 0.0 110.3 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.4 -37.96 82.45 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 124.965 1.306 . . . . 0.0 110.839 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -72.24 -32.67 66.92 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 119.031 0.832 . . . . 0.0 111.0 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.7 m -69.77 -48.65 58.46 Favored 'General case' 0 C--N 1.34 0.188 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 174.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -64.57 -33.98 77.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.197 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.44 -48.06 76.75 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 123.953 0.901 . . . . 0.0 110.539 174.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.17 86.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.522 0.601 . . . . 0.0 110.765 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.1 mt -64.62 -52.54 53.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.79 89.17 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.352 0.524 . . . . 0.0 110.31 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.51 -39.22 90.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.329 1.052 . . . . 0.0 110.793 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -65.05 -44.43 89.05 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.028 0.531 . . . . 0.0 110.502 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.5 -31.85 73.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.984 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -74.29 -35.8 63.74 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.814 1.188 . . . . 0.0 111.344 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -63.63 -41.63 98.23 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.417 -0.802 . . . . 0.0 110.159 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.34 -52.85 62.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.195 0.998 . . . . 0.0 110.47 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.38 -17.47 59.16 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.33 1.052 . . . . 0.0 112.516 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -5.16 11.27 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 171.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.07 35.2 57.77 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 107.936 -2.066 . . . . 0.0 107.936 -168.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 52.71 163.71 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 129.636 3.174 . . . . 0.0 115.691 -169.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -127.5 1.48 6.24 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.204 172.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 C--O 1.251 1.142 0 C-N-CA 124.694 1.198 . . . . 0.0 110.498 171.42 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttm . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.0 170.94 5.99 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.274 0.63 . . . . 0.0 111.522 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -124.92 35.99 4.68 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.61 1.564 . . . . 0.0 109.041 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.1 p -68.01 -14.81 18.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 126.676 1.99 . . . . 0.0 112.691 -172.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.89 138.07 30.74 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.36 1.064 . . . . 0.0 111.796 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.97 -44.96 94.12 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.001 0.52 . . . . 0.0 109.635 169.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -171.41 164.88 7.05 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 127.855 2.462 . . . . 0.0 106.026 -173.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -54.91 -18.08 4.49 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.769 0.828 . . . . 0.0 113.095 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.8 m -46.94 -40.03 13.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.162 1.385 . . . . 0.0 110.941 169.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -60.1 -51.75 68.27 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.944 0.793 . . . . 0.0 109.694 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.01 -43.15 99.31 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 123.262 0.625 . . . . 0.0 110.173 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' CD2' HH21 ' A' ' 13' ' ' ARG . 8.4 t60 -60.79 -47.56 85.77 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.655 0.782 . . . . 0.0 110.958 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.415 HH21 ' CD2' ' A' ' 12' ' ' HIS . 1.7 mmp_? -66.76 -42.75 85.61 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.778 178.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -56.4 -54.85 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 119.538 1.063 . . . . 0.0 108.502 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.16 -38.38 88.82 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.092 0.957 . . . . 0.0 112.17 -172.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.1 p -105.64 -3.72 21.91 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -169.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -135.85 -19.5 1.56 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.015 0.825 . . . . 0.0 112.985 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mt -117.09 -49.91 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.347 0.976 . . . . 0.0 109.566 -172.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.3 pt -116.27 13.84 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.617 0.767 . . . . 0.0 111.917 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.2 -35.63 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.532 1.133 . . . . 0.0 112.532 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.17 -14.71 46.11 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.215 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.58 168.45 15.35 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.89 0.876 . . . . 0.0 111.584 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -147.86 -37.79 0.19 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.921 0.888 . . . . 0.0 109.978 169.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -114.11 170.17 8.48 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.455 1.025 . . . . 0.0 110.099 -176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -55.88 -42.08 75.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.569 1.147 . . . . 0.0 112.008 -169.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.6 -41.42 79.59 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.594 0.757 . . . . 0.0 110.389 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -62.27 -45.43 93.3 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.94 93.32 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.8 mmt -62.41 -37.67 86.71 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 118.648 -0.692 . . . . 0.0 112.212 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.5 -50.42 67.89 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 119.356 0.98 . . . . 0.0 110.75 176.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -57.33 -46.4 83.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.731 0.413 . . . . 0.0 111.013 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -61.99 -48.28 81.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.88 0.872 . . . . 0.0 111.079 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -63.41 -42.78 98.76 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.558 0.617 . . . . 0.0 110.071 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.44 -46.58 82.54 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.658 0.208 . . . . 0.0 110.572 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.57 -43.77 84.07 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 118.963 -0.541 . . . . 0.0 109.927 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.63 -33.6 71.73 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.647 0.658 . . . . 0.0 111.946 177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.92 -22.65 45.5 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 177.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -100.64 -45.48 5.49 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -169.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.5 mt -67.69 127.39 32.6 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.54 46.45 1.3 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.053 1.341 . . . . 0.0 110.24 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 24.5 p90 -64.86 160.76 52.36 Favored Pre-proline 0 CA--C 1.546 0.805 0 O-C-N 121.245 -0.909 . . . . 0.0 111.003 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -58.57 142.02 24.18 Favored 'Cis proline' 0 C--N 1.35 0.643 0 CA-C-N 119.903 1.001 . . . . 0.0 111.52 -10.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -144.45 160.58 40.84 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 118.318 0.508 . . . . 0.0 109.827 176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ttt -88.93 145.53 25.47 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.535 -0.728 . . . . 0.0 109.089 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.4 171.23 33.5 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 121.567 -0.708 . . . . 0.0 111.351 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -99.81 122.51 42.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 169.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -81.08 108.29 14.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 102.463 -3.162 . . . . 0.0 102.463 168.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -90.07 64.33 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -57.93 131.89 51.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.492 -169.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -56.09 126.28 25.29 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.1 t -61.86 148.86 41.99 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.382 0.61 . . . . 0.0 110.654 -171.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -45.67 107.42 0.1 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.493 1.517 . . . . 0.0 109.948 174.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.4 tttt 44.19 32.74 0.71 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.589 1.956 . . . . 0.0 113.602 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -144.48 147.99 33.98 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 m -72.66 -7.86 52.47 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.348 1.059 . . . . 0.0 113.703 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 p -72.11 175.49 5.94 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.142 1.377 . . . . 0.0 110.375 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mp -114.09 128.73 70.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.79 98.27 11.51 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.68 131.34 45.41 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 121.416 -0.802 . . . . 0.0 108.979 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -137.05 135.82 37.87 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.6 m -93.64 126.29 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 m -139.17 156.32 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 122.131 0.967 . . . . 0.0 110.882 -169.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -105.53 117.45 34.04 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -78.27 138.8 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 172.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.88 -24.12 14.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 123.041 0.536 . . . . 0.0 110.997 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.456 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 162.05 173.38 30.64 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -175.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 91.7 mmm -62.31 147.71 47.33 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 170.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 169.16 9.23 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 123.519 0.728 . . . . 0.0 110.373 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -52.49 155.46 9.91 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.078 2.519 . . . . 0.0 113.282 172.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -57.99 -29.13 65.01 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.808 0.843 . . . . 0.0 111.858 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.24 -29.88 70.71 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.266 0.626 . . . . 0.0 111.651 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -79.92 -47.04 15.68 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 171.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 64.2 m -71.52 13.48 0.25 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.35 -9.77 57.18 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.468 1.507 . . . . 0.0 111.797 170.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -119.75 -38.03 3.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.802 0.841 . . . . 0.0 112.164 -169.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -155.64 175.22 14.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -87.45 134.3 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -134.35 156.37 48.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 118.597 0.635 . . . . 0.0 109.775 -176.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.76 141.03 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 125.594 1.558 . . . . 0.0 107.692 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.87 135.68 37.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 169.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 m -139.41 150.61 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 123.347 0.659 . . . . 0.0 109.694 -175.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.05 140.38 51.99 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -71.96 127.61 33.11 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 122.791 0.436 . . . . 0.0 110.79 -176.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 82.9 mt -84.69 -23.47 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.236 0.614 . . . . 0.0 109.352 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.63 -43.31 91.29 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.148 0.88 . . . . 0.0 112.561 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.22 -25.29 0.05 OUTLIER Glycine 0 CA--C 1.528 0.876 0 CA-C-O 119.05 -0.861 . . . . 0.0 114.476 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -82.49 36.61 0.48 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.444 1.622 . . . . 0.0 111.176 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.6 -22.15 63.44 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.128 1.371 . . . . 0.0 111.94 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.86 -11.42 27.32 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.448 1.499 . . . . 0.0 113.095 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -134.89 163.56 29.55 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.718 1.207 . . . . 0.0 110.107 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.0 t -137.52 152.5 27.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.133 1.373 . . . . 0.0 107.493 -170.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -138.62 179.72 6.31 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.491 1.916 . . . . 0.0 108.778 -169.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.8 m -129.35 138.58 51.62 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.88 154.44 49.2 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.331 1.452 . . . . 0.0 107.556 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -72.43 143.04 48.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 106.363 -1.718 . . . . 0.0 106.363 169.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.93 -29.49 69.65 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 168.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 m -60.88 -13.49 16.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.57 1.948 . . . . 0.0 113.734 172.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.43 6.0 18.41 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.23 1.412 . . . . 0.0 110.497 -178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.54 151.29 20.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.665 1.586 . . . . 0.0 108.776 -169.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -133.2 111.43 10.88 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.76 50.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.068 0.461 . . . . 0.0 110.012 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.8 mt -118.42 132.41 68.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.02 39.65 8.12 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.044 1.737 . . . . 0.0 112.994 174.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 109' ' ' THR . 2.7 p -93.28 170.82 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 123.606 0.762 . . . . 0.0 110.492 -172.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -66.15 159.33 26.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 122.19 0.995 . . . . 0.0 110.554 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.672 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -74.05 -29.44 61.9 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 0.513 . . . . 0.0 110.632 -175.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.462 HG21 HG21 ' A' ' 105' ' ' VAL . 33.1 m -67.43 -49.74 62.41 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 173.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.79 -35.02 79.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 118.97 -0.538 . . . . 0.0 111.243 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.49 -43.09 86.32 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-N 118.811 0.732 . . . . 0.0 110.897 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.49 96.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.925 0.784 . . . . 0.0 110.961 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mt -62.97 -50.49 79.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.4 91.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.505 0.593 . . . . 0.0 110.368 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.33 -38.74 92.09 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.197 0.599 . . . . 0.0 111.888 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -64.88 -40.52 95.24 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.443 0.297 . . . . 0.0 110.554 173.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.0 mt -66.76 -35.39 79.98 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.892 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.94 -46.84 89.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 119.462 1.028 . . . . 0.0 109.629 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -61.91 -42.98 99.71 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.026 -0.421 . . . . 0.0 111.211 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.1 tp -59.02 -46.51 88.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.402 0.681 . . . . 0.0 109.91 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.48 -16.55 63.48 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.746 0.818 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -61.91 -36.39 81.17 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 118.726 0.694 . . . . 0.0 112.282 -171.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 130.74 -4.92 5.8 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.055 -0.859 . . . . 0.0 111.463 -169.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 59.91 -148.61 0.45 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.14 1.376 . . . . 0.0 114.01 169.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 44.2 mttp 69.2 19.44 7.89 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 127.871 2.469 . . . . 0.0 113.204 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 . . . . . 0 C--O 1.25 1.097 0 C-N-CA 126.888 2.075 . . . . 0.0 111.485 178.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.4 -28.59 65.34 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.553 0.741 . . . . 0.0 112.998 -177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m 56.82 27.29 12.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.725 1.21 . . . . 0.0 113.265 172.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.56 106.45 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.246 1.019 . . . . 0.0 108.532 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.89 -23.57 64.21 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.386 0.674 . . . . 0.0 112.248 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -76.53 6.79 5.25 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.294 1.038 . . . . 0.0 112.116 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -51.21 -45.55 61.91 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.227 0.921 . . . . 0.0 112.673 -173.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -68.51 -41.8 79.47 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 121.922 -0.486 . . . . 0.0 111.231 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 m -55.37 -40.44 71.3 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.618 1.167 . . . . 0.0 109.717 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -81.99 -44.54 16.54 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 117.571 -1.204 . . . . 0.0 110.725 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.94 -42.41 72.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.513 1.051 . . . . 0.0 110.212 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -61.75 2.29 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.419 174.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -62.43 -39.25 92.71 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.739 0.7 . . . . 0.0 111.604 -169.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.88 -53.05 52.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.01 -41.18 96.05 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.61 -176.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.9 p -94.88 -6.94 41.53 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -139.24 -19.57 0.97 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -169.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.3 mt -117.49 -44.1 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 119.565 1.075 . . . . 0.0 109.817 -170.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 pt -118.28 14.28 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 123.594 0.758 . . . . 0.0 111.747 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.32 -35.2 35.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.431 1.092 . . . . 0.0 112.187 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -89.06 -10.47 47.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.932 0.893 . . . . 0.0 112.08 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 171.67 14.86 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.715 0.806 . . . . 0.0 111.664 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -138.79 -41.88 0.48 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.089 0.955 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -141.74 172.46 12.66 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.523 1.129 . . . . 0.0 109.303 -175.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -38.67 20.03 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -169.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.18 -44.19 69.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -68.11 -34.79 77.05 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.018 0.527 . . . . 0.0 110.176 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -68.89 -42.17 77.29 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.668 -0.645 . . . . 0.0 109.654 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.56 93.56 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.102 0.41 . . . . 0.0 110.151 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -63.63 -38.21 90.26 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.757 -0.639 . . . . 0.0 111.968 175.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.25 -50.87 61.18 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 119.182 0.901 . . . . 0.0 111.013 175.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -57.55 -49.28 76.89 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 117.01 0.405 . . . . 0.0 111.167 174.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -60.04 -47.43 85.89 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.752 0.821 . . . . 0.0 110.9 -174.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.81 -43.96 87.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.305 0.502 . . . . 0.0 110.139 -178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -63.29 -45.1 92.98 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.663 0.385 . . . . 0.0 110.47 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.73 -46.07 76.65 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.855 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.05 -33.68 72.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.017 0.826 . . . . 0.0 112.027 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -75.98 -25.58 55.94 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.141 0.577 . . . . 0.0 112.379 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.1 m -96.83 -46.84 6.09 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.197 0.453 . . . . 0.0 111.636 -170.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.12 121.92 16.25 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -170.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -83.93 63.36 7.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.965 0.906 . . . . 0.0 109.971 -174.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -61.54 157.29 47.87 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.026 0.93 . . . . 0.0 112.36 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.89 151.54 95.83 Favored 'Cis proline' 0 C--N 1.349 0.559 0 N-CA-C 108.893 -1.234 . . . . 0.0 108.893 -10.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -141.43 158.35 43.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.433 0.561 . . . . 0.0 110.78 175.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.24 144.37 26.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.54 169.22 32.82 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -96.93 126.38 42.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.79 103.01 12.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 104.211 -2.514 . . . . 0.0 104.211 169.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -96.05 65.97 2.51 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.11 132.08 50.68 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.744 -173.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.1 141.82 33.09 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 169.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.0 t -52.93 149.33 6.55 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.169 0.985 . . . . 0.0 110.528 176.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -64.47 -17.52 63.92 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.051 0.94 . . . . 0.0 112.022 174.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -133.65 -17.7 2.22 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -169.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.5 p -143.64 176.48 9.18 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.567 1.076 . . . . 0.0 110.625 -169.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 p -74.36 -1.16 19.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.506 1.522 . . . . 0.0 113.157 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.8 p -72.23 -178.78 2.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.452 1.501 . . . . 0.0 110.869 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mm -129.25 136.54 59.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -171.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.16 151.24 27.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 169.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -128.54 137.07 51.56 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.356 -0.84 . . . . 0.0 111.411 -169.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -136.11 142.78 44.31 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 168.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -95.51 126.61 40.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 105.859 -1.904 . . . . 0.0 105.859 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.34 156.37 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 122.26 1.029 . . . . 0.0 111.622 -169.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -105.73 117.84 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 104.533 -2.395 . . . . 0.0 104.533 169.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -82.88 142.03 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -104.45 -22.04 13.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.241 0.616 . . . . 0.0 111.602 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.65 175.64 31.88 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -63.5 153.1 36.61 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 169.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.67 169.36 6.55 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 122.948 0.499 . . . . 0.0 109.823 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.56 154.3 9.22 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.715 2.277 . . . . 0.0 112.592 170.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.52 -29.08 61.47 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.672 0.789 . . . . 0.0 111.999 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -62.84 -32.14 73.3 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.602 0.761 . . . . 0.0 111.906 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.43 -43.98 16.62 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 173.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.2 m -72.95 7.47 2.03 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.74 -12.35 51.31 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.569 1.548 . . . . 0.0 111.602 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -115.95 -38.84 3.56 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.573 0.749 . . . . 0.0 111.474 -169.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -159.76 172.77 17.09 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -82.47 136.33 34.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 121.064 1.756 . . . . 0.0 108.45 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -140.2 156.87 46.33 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.064 0.946 . . . . 0.0 109.75 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.8 m -140.2 142.76 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 125.503 1.521 . . . . 0.0 108.17 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.91 135.75 37.08 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.88 151.06 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.201 0.601 . . . . 0.0 110.057 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.92 139.79 52.8 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.52 127.51 32.78 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 122.883 0.473 . . . . 0.0 110.823 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.6 mt -84.44 -24.0 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 123.436 0.695 . . . . 0.0 109.38 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.24 -43.27 89.26 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.201 0.905 . . . . 0.0 112.529 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.34 -24.45 0.05 OUTLIER Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.14 -0.811 . . . . 0.0 114.374 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -82.79 36.01 0.48 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.459 1.63 . . . . 0.0 111.169 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.42 -21.75 62.61 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.325 1.45 . . . . 0.0 112.058 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.03 -12.02 23.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.404 1.481 . . . . 0.0 113.141 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -135.51 164.3 28.13 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.714 1.206 . . . . 0.0 110.123 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.9 t -136.24 151.84 29.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.272 1.429 . . . . 0.0 107.207 -171.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -137.89 179.82 6.2 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 126.438 1.895 . . . . 0.0 109.008 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 m -129.08 136.3 50.07 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 171.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.75 149.91 49.37 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.316 1.446 . . . . 0.0 107.683 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -68.32 137.23 54.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 169.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.92 -27.97 68.59 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 169.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -60.88 -13.57 16.57 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.362 2.265 . . . . 0.0 113.243 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.38 11.89 8.72 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.578 1.551 . . . . 0.0 109.168 -176.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.3 147.34 18.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 O-C-N 120.779 -1.2 . . . . 0.0 107.942 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -136.29 116.18 13.19 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.25 152.46 45.02 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.453 0.644 . . . . 0.0 110.259 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 89.7 mt -117.48 131.49 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.35 37.92 9.53 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.292 1.837 . . . . 0.0 113.483 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.46 HG21 HG21 ' A' ' 109' ' ' THR . 1.6 p -94.21 169.72 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 121.748 -0.595 . . . . 0.0 110.882 -174.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.37 159.19 35.0 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 111.117 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.35 -37.35 72.44 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.799 0.84 . . . . 0.0 113.117 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -76.05 -39.16 56.15 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.373 0.988 . . . . 0.0 110.417 -174.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.46 HG21 HG21 ' A' ' 105' ' ' VAL . 28.5 m -60.38 -46.87 88.43 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.669 0.788 . . . . 0.0 109.412 170.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -62.0 -45.1 95.09 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.93 -41.08 97.53 Favored 'General case' 0 C--O 1.227 -0.114 0 CA-C-N 118.97 0.804 . . . . 0.0 111.561 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.42 97.51 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.857 0.753 . . . . 0.0 111.383 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.21 -49.86 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.75 80.21 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 123.453 0.701 . . . . 0.0 109.841 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -60.34 -43.7 96.2 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.996 0.919 . . . . 0.0 112.08 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -62.53 -41.59 98.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.77 -0.581 . . . . 0.0 110.165 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.63 -33.95 73.36 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.634 0.652 . . . . 0.0 111.449 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.92 -46.79 87.78 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 119.326 0.966 . . . . 0.0 109.792 173.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 64.8 t-105 -63.86 -41.89 97.68 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 123.717 0.807 . . . . 0.0 109.253 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.8 tp -56.19 -51.22 68.83 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.523 0.729 . . . . 0.0 109.58 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.59 -25.66 68.07 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.971 1.308 . . . . 0.0 112.669 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 -72.63 -5.58 38.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.793 0.837 . . . . 0.0 113.135 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.88 39.21 17.55 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -50.51 164.45 0.13 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.346 1.858 . . . . 0.0 114.516 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -127.32 -14.43 5.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.961 1.304 . . . . 0.0 112.115 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 22.0 p90 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 125.628 1.571 . . . . 0.0 108.421 -175.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.3 ttm . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.51 146.9 26.22 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.271 1.029 . . . . 0.0 108.388 172.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -75.65 17.79 0.28 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.044 1.338 . . . . 0.0 113.003 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.43 -22.96 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 126.086 1.754 . . . . 0.0 111.628 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.55 149.07 18.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.008 1.323 . . . . 0.0 111.609 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -60.93 -44.64 96.94 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 173.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -173.3 165.68 4.79 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 127.607 2.363 . . . . 0.0 106.212 -171.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.21 -18.12 5.47 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.015 0.926 . . . . 0.0 112.939 173.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.1 m -47.18 -38.1 11.29 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.122 1.369 . . . . 0.0 110.879 168.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -64.36 -50.01 69.42 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.21 0.914 . . . . 0.0 110.498 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.65 -42.43 88.33 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.306 0.642 . . . . 0.0 109.58 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -64.94 -47.79 76.4 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.066 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -60.89 -41.4 95.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.432 1.015 . . . . 0.0 110.541 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.6 mt -56.1 -60.11 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.67 -34.93 78.95 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -170.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.6 p -107.55 2.24 23.93 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -144.17 -46.96 0.26 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 118.766 0.712 . . . . 0.0 112.566 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mt -78.41 -45.98 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 119.46 1.027 . . . . 0.0 110.143 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.8 pt -122.41 14.01 5.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.979 0.912 . . . . 0.0 112.011 -175.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.1 -34.99 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 O-C-N 121.439 -0.788 . . . . 0.0 112.172 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -81.31 -13.75 58.08 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.927 0.891 . . . . 0.0 112.237 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.94 175.25 10.72 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.846 0.859 . . . . 0.0 111.817 -175.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -149.0 -47.24 0.14 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.229 1.011 . . . . 0.0 109.295 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -123.62 173.07 8.32 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.327 1.051 . . . . 0.0 109.442 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -52.11 -44.11 64.29 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.713 1.205 . . . . 0.0 113.348 -168.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.13 -39.31 82.74 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -174.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -70.26 -35.49 73.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.308 0.643 . . . . 0.0 110.327 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -66.46 -42.79 87.01 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.131 0.878 . . . . 0.0 109.57 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.77 94.6 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.589 0.355 . . . . 0.0 110.786 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.9 mmt -65.92 -35.7 81.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.753 -0.642 . . . . 0.0 112.326 177.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.77 -50.95 59.95 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 175.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -57.7 -48.53 79.3 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 118.875 -0.584 . . . . 0.0 111.488 172.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.43 -53.56 56.77 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.843 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -72.51 -32.9 66.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.873 -0.584 . . . . 0.0 111.117 -174.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.03 -46.93 86.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.001 0.819 . . . . 0.0 110.092 174.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.39 -43.17 82.01 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.72 -32.85 70.91 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.831 0.741 . . . . 0.0 111.957 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -81.08 -22.08 39.48 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.7 m -100.36 -46.04 5.38 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.815 -0.553 . . . . 0.0 112.098 -169.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.36 123.18 20.52 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -170.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.56 51.57 2.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.607 0.763 . . . . 0.0 109.966 -176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -62.79 156.93 62.87 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 121.816 -0.552 . . . . 0.0 111.204 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -68.1 145.16 74.88 Favored 'Cis proline' 0 CA--C 1.536 0.583 0 CA-C-N 119.356 0.806 . . . . 0.0 111.473 -5.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -146.91 160.53 42.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.348 1.059 . . . . 0.0 108.969 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 ttt -88.44 143.64 26.86 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.143 -0.973 . . . . 0.0 109.411 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.97 167.9 31.76 Favored Glycine 0 C--N 1.335 0.484 0 CA-C-N 119.407 1.003 . . . . 0.0 111.348 171.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -96.1 127.35 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -83.99 102.09 12.21 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 169.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -89.78 66.23 7.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 175.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -63.56 132.18 50.41 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -173.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -59.75 139.78 57.01 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 119.853 1.206 . . . . 0.0 109.092 169.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.4 m -59.47 161.43 5.82 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 122.165 0.983 . . . . 0.0 112.299 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -56.6 -32.74 65.56 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.201 1.4 . . . . 0.0 113.465 -169.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -145.04 -45.51 0.23 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.599 0.76 . . . . 0.0 110.133 175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -58.25 153.84 14.46 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.689 1.196 . . . . 0.0 110.199 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -70.73 -5.78 32.49 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 p -72.32 -170.84 0.68 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.301 2.241 . . . . 0.0 112.524 -171.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.9 mm -125.89 140.89 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 125.698 1.599 . . . . 0.0 107.306 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -112.24 153.06 27.7 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 169.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -128.24 127.04 42.09 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 121.24 -0.912 . . . . 0.0 109.598 -172.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -131.46 147.84 52.59 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.7 m -99.66 131.69 45.48 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.8 m -142.36 156.9 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 122.276 1.036 . . . . 0.0 110.911 -169.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -99.79 114.09 27.02 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 168.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 t -76.22 124.5 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 174.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.32 -31.99 12.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.208 0.603 . . . . 0.0 111.994 -169.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.33 171.79 33.77 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 87.9 mmm -64.37 145.97 55.2 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.73 167.41 16.53 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -49.58 142.57 23.75 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 122.565 2.177 . . . . 0.0 112.739 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -59.33 -27.95 66.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.531 0.732 . . . . 0.0 111.438 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -62.05 -24.78 67.29 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -91.42 -24.09 19.83 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.889 -0.507 . . . . 0.0 110.776 175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.2 m -83.63 24.81 0.83 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.963 0.905 . . . . 0.0 113.403 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -16.17 53.82 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.851 0.861 . . . . 0.0 112.969 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -130.16 -26.87 2.31 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -169.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -83.7 140.44 32.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 171.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -134.64 153.15 52.11 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.271 0.628 . . . . 0.0 109.513 -177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.36 141.86 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 124.671 1.188 . . . . 0.0 108.543 -174.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.99 140.2 38.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 171.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.9 m -142.62 151.45 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 122.996 0.518 . . . . 0.0 110.17 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.5 139.68 53.65 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -70.04 140.41 52.82 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.858 0.463 . . . . 0.0 111.861 -175.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 mt -117.39 55.8 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.401 1.48 . . . . 0.0 108.856 172.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -139.8 -42.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.393 0.997 . . . . 0.0 111.106 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.88 8.04 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.467 -1.185 . . . . 0.0 115.652 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -121.14 27.3 8.48 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.597 1.698 . . . . 0.0 110.495 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.97 -24.14 36.61 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.537 1.535 . . . . 0.0 112.538 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.05 -12.34 25.76 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.3 1.44 . . . . 0.0 113.217 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -135.5 166.31 23.49 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.823 1.249 . . . . 0.0 110.292 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 66.5 t -134.02 149.91 30.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 C-N-CA 125.583 1.553 . . . . 0.0 107.538 -171.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -135.92 179.14 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.407 1.883 . . . . 0.0 108.47 -172.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 m -129.42 137.12 50.72 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.96 155.06 43.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.18 1.392 . . . . 0.0 107.937 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.61 142.79 42.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 169.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.33 -28.65 69.36 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 62.1 m -57.9 -16.53 12.32 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.989 1.716 . . . . 0.0 114.286 171.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -119.65 10.94 11.86 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.031 1.332 . . . . 0.0 109.671 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mm -114.96 149.08 17.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 120.533 -1.354 . . . . 0.0 108.382 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.7 156.02 39.62 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.667 0.746 . . . . 0.0 110.657 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 86.5 mt -122.66 131.05 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 48.8 37.11 9.17 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.101 1.76 . . . . 0.0 113.541 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.492 HG21 HG21 ' A' ' 109' ' ' THR . 3.1 p -93.96 173.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.383 0.673 . . . . 0.0 110.641 -176.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.7 159.95 26.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 122.14 0.972 . . . . 0.0 110.565 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.44 -39.46 90.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.934 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -74.9 -34.34 62.17 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.505 0.593 . . . . 0.0 110.806 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.492 HG21 HG21 ' A' ' 105' ' ' VAL . 65.2 m -64.85 -48.72 73.31 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -65.97 -36.01 82.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.49 -176.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.83 -42.59 94.84 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 119.004 0.82 . . . . 0.0 111.18 176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.49 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.202 0.455 . . . . 0.0 110.607 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.53 -51.06 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.31 -49.91 74.61 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.157 0.583 . . . . 0.0 110.129 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.28 -31.44 72.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -68.27 -43.94 76.68 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 121.813 -0.555 . . . . 0.0 110.4 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.86 -36.61 84.9 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.371 -0.83 . . . . 0.0 110.168 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -66.3 -36.0 81.81 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.438 -0.789 . . . . 0.0 110.39 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -67.43 -41.76 84.28 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.351 -1.468 . . . . 0.0 110.098 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.99 -50.4 72.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.182 0.993 . . . . 0.0 109.802 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.74 68.53 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -73.53 -17.62 61.19 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.62 176.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 84.26 34.93 15.9 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-O 118.573 -1.126 . . . . 0.0 111.509 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 60.06 179.26 0.09 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.978 2.111 . . . . 0.0 114.357 169.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -130.6 6.64 4.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.555 1.542 . . . . 0.0 110.427 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 C--O 1.248 0.999 0 C-N-CA 124.77 1.228 . . . . 0.0 108.839 169.257 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 tpp . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 119.092 -0.48 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.08 56.42 4.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.594 1.958 . . . . 0.0 113.505 175.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -75.37 24.98 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.623 1.569 . . . . 0.0 112.809 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -65.79 -19.39 25.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 126.065 1.746 . . . . 0.0 113.6 -175.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -62.99 148.02 48.87 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.655 1.116 . . . . 0.0 110.619 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -65.59 -43.2 90.45 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -165.22 165.56 19.55 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.189 2.196 . . . . 0.0 106.04 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.1 -24.45 58.71 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.847 1.203 . . . . 0.0 112.258 172.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 m -55.24 -34.64 64.18 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.482 -0.761 . . . . 0.0 111.39 170.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -64.82 -45.22 87.11 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.71 1.141 . . . . 0.0 109.414 176.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.77 -39.71 89.81 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.659 0.383 . . . . 0.0 110.657 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -65.24 -38.82 91.57 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.071 0.396 . . . . 0.0 111.137 175.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.12 -39.12 82.83 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.85 -1.156 . . . . 0.0 111.14 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.34 -52.59 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 171.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.05 -32.31 69.64 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.02 1.328 . . . . 0.0 112.313 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -105.93 7.43 32.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 112.751 -172.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.83 -50.22 0.4 Allowed 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.897 0.771 . . . . 0.0 111.893 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 mt -80.92 -46.66 20.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.0 pt -120.4 12.28 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 123.338 0.655 . . . . 0.0 112.354 -171.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.94 -34.16 37.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 123.866 0.866 . . . . 0.0 112.117 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -88.83 -9.29 52.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.957 0.903 . . . . 0.0 112.127 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.69 172.34 13.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.385 0.674 . . . . 0.0 111.722 -175.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -152.58 -40.3 0.1 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.339 1.055 . . . . 0.0 110.186 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.35 173.01 11.72 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.95 1.3 . . . . 0.0 108.653 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -54.96 -39.52 69.02 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 125.863 1.665 . . . . 0.0 113.368 -172.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 -42.02 85.54 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -69.45 -35.27 75.49 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.969 -0.457 . . . . 0.0 110.352 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -67.14 -41.91 85.3 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.013 0.824 . . . . 0.0 109.971 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.51 97.79 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.461 0.573 . . . . 0.0 110.209 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.7 mmt -64.2 -38.65 91.81 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 118.686 -0.674 . . . . 0.0 112.296 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.68 -50.83 62.0 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.234 0.924 . . . . 0.0 110.816 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -59.24 -47.35 85.69 Favored 'General case' 0 C--O 1.231 0.114 0 O-C-N 122.652 -0.322 . . . . 0.0 111.476 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -59.76 -48.96 79.6 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.524 0.73 . . . . 0.0 110.848 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -65.39 -41.9 93.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 118.18 0.445 . . . . 0.0 110.182 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.63 -46.6 84.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.026 0.375 . . . . 0.0 110.588 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.21 -44.72 87.38 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.01 0.524 . . . . 0.0 109.877 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.67 -33.3 71.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.413 0.551 . . . . 0.0 111.968 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.18 -22.35 45.09 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -100.44 -46.87 5.09 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.956 0.502 . . . . 0.0 112.336 -169.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.66 131.18 45.1 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -78.2 24.09 0.26 Allowed 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -171.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.424 ' HA ' ' C ' ' A' ' 43' ' ' PRO . 23.6 p90 -52.44 155.73 3.49 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 124.28 1.032 . . . . 0.0 113.434 -169.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 42' ' ' PHE . 50.5 Cg_exo -56.53 141.85 17.82 Favored 'Cis proline' 0 C--N 1.352 0.721 0 CA-C-N 119.562 0.879 . . . . 0.0 113.158 -9.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.57 153.73 42.11 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.3 ttt -84.79 145.44 27.88 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.6 -0.688 . . . . 0.0 109.367 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.77 172.88 34.47 Favored Glycine 0 N--CA 1.45 -0.419 0 O-C-N 121.463 -0.773 . . . . 0.0 112.04 172.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -102.48 124.51 48.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 169.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -81.48 106.69 13.64 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 169.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -93.14 64.34 3.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -52.97 110.53 0.54 Allowed 'General case' 0 N--CA 1.46 0.073 0 C-N-CA 123.984 0.914 . . . . 0.0 109.018 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -84.79 -17.34 38.46 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.722 0.809 . . . . 0.0 110.955 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.0 m -77.35 -2.08 33.21 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -176.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -64.85 137.02 57.51 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.991 1.268 . . . . 0.0 107.595 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt 45.44 38.24 3.59 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.254 1.022 . . . . 0.0 111.064 -169.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.3 m 66.58 -36.01 0.25 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.815 2.446 . . . . 0.0 114.388 -175.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 m -149.93 33.84 0.67 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.452 1.478 . . . . 0.0 114.205 -169.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 77.4 p -128.36 142.45 51.12 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.867 1.212 . . . . 0.0 109.952 176.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -71.37 139.85 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -136.5 139.78 42.54 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -112.16 132.02 55.13 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.731 0.413 . . . . 0.0 109.966 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.8 120.24 14.94 Favored 'General case' 0 N--CA 1.46 0.068 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -75.97 131.77 39.79 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.7 m -144.0 156.99 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 122.323 1.058 . . . . 0.0 111.023 -171.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -101.97 115.67 31.05 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 103.401 -2.815 . . . . 0.0 103.401 168.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.2 m -75.54 134.67 28.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 169.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -99.59 -19.38 16.88 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.35 0.66 . . . . 0.0 111.225 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 164.27 175.55 35.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 96.5 mmm -64.29 149.91 47.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.53 164.57 14.86 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 123.779 0.832 . . . . 0.0 110.764 172.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -59.92 151.87 68.48 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.132 1.888 . . . . 0.0 110.999 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.5 -28.29 59.45 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -169.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.18 -35.82 80.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.89 0.768 . . . . 0.0 111.241 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.78 -38.91 57.87 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.64 5.59 1.81 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.6 mt -91.57 -9.16 45.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.346 1.458 . . . . 0.0 111.322 169.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -115.37 -40.6 3.4 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.931 0.893 . . . . 0.0 111.133 -169.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -158.69 173.52 16.44 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.703 2.401 . . . . 0.0 104.562 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.2 mmt -83.04 136.51 34.47 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 169.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.26 156.24 47.86 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.688 0.795 . . . . 0.0 109.768 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.6 m -140.7 142.21 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.406 1.482 . . . . 0.0 107.793 -176.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.6 135.19 38.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.9 m -138.99 148.04 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 123.262 0.625 . . . . 0.0 110.389 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -122.6 132.64 54.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.052 1.341 . . . . 0.0 107.807 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -81.36 89.55 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.44 1.096 . . . . 0.0 110.547 -172.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.9 mt -48.08 128.22 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 125.592 1.557 . . . . 0.0 109.795 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.8 12.13 64.12 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 118.767 -1.018 . . . . 0.0 114.459 169.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.32 -93.09 0.87 Allowed Glycine 0 C--N 1.336 0.569 0 N-CA-C 107.992 -2.043 . . . . 0.0 107.992 175.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -63.2 -42.51 99.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.796 0.798 . . . . 0.0 109.312 170.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t70 56.97 -16.98 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 130.448 3.499 . . . . 0.0 117.925 169.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -140.94 19.24 2.3 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.623 1.569 . . . . 0.0 110.746 -171.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -141.35 162.83 34.53 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.295 1.438 . . . . 0.0 108.326 173.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.7 p -132.72 151.74 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.466 1.106 . . . . 0.0 110.263 -169.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -138.58 -173.14 3.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.736 2.415 . . . . 0.0 107.751 -173.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 m -129.45 139.29 51.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.24 152.34 48.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.596 1.558 . . . . 0.0 108.053 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -70.61 135.82 48.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 106.603 -1.629 . . . . 0.0 106.603 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.4 tp -62.03 -28.11 69.36 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.2 m -63.31 -9.45 11.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.183 1.793 . . . . 0.0 113.469 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.17 11.69 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.429 1.492 . . . . 0.0 109.416 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -113.09 147.71 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 O-C-N 120.643 -1.286 . . . . 0.0 108.856 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -129.88 112.5 13.62 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.7 148.23 50.7 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.9 mt -115.83 132.26 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 47.35 39.96 9.88 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.019 1.727 . . . . 0.0 113.079 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG21 HG21 ' A' ' 109' ' ' THR . 1.2 p -95.47 165.51 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 123.56 0.744 . . . . 0.0 110.383 -173.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.66 159.21 25.4 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 122.529 1.157 . . . . 0.0 110.929 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.9 -43.28 81.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.185 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -76.36 -30.97 57.79 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.682 0.674 . . . . 0.0 110.78 -174.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.415 HG21 HG21 ' A' ' 105' ' ' VAL . 90.8 m -66.45 -48.94 68.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 172.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -63.72 -39.19 93.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 119.051 -0.5 . . . . 0.0 111.039 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -65.36 -42.85 92.36 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 118.585 -0.722 . . . . 0.0 110.835 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.93 96.78 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.28 0.946 . . . . 0.0 111.249 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mt -64.77 -53.01 47.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.99 -43.79 82.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.395 0.278 . . . . 0.0 110.725 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -65.97 -38.22 87.99 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.738 0.815 . . . . 0.0 112.038 -178.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -63.42 -42.58 98.72 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.494 0.318 . . . . 0.0 110.193 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.11 -30.24 70.71 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.056 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -65.08 -47.71 76.29 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 120.037 1.29 . . . . 0.0 110.049 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -60.16 -40.02 88.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.227 0.611 . . . . 0.0 110.868 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.53 -51.5 67.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.565 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.01 -25.53 67.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.755 0.822 . . . . 0.0 112.014 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -14.53 58.01 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.018 0.927 . . . . 0.0 113.227 174.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.95 34.05 53.64 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -169.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 56.63 169.95 0.03 OUTLIER 'General case' 0 C--N 1.345 0.404 0 C-N-CA 129.037 2.935 . . . . 0.0 116.685 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -133.4 3.52 3.62 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.428 168.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 . . . . . 0 C--O 1.252 1.202 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 169.674 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 mtt . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.01 133.25 55.93 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.366 0.667 . . . . 0.0 109.725 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -85.81 31.25 0.62 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.232 1.413 . . . . 0.0 111.247 -176.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -61.88 -29.05 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.006 1.722 . . . . 0.0 113.653 -172.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -64.03 152.89 39.02 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.809 0.844 . . . . 0.0 111.461 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -61.15 -49.04 78.86 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 169.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -164.66 175.51 9.7 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 128.076 2.55 . . . . 0.0 104.711 170.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.48 -7.44 0.92 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.24 1.016 . . . . 0.0 113.544 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -41.27 62.22 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.78 1.232 . . . . 0.0 110.877 170.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.449 HH21 ' HB2' ' A' ' 115' ' ' ASP . 24.4 mtp85 -67.91 -45.73 73.54 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.58 -38.27 90.49 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.281 0.491 . . . . 0.0 110.484 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -59.8 -47.04 87.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.312 0.645 . . . . 0.0 110.305 174.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -74.6 -29.37 61.28 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.6 1.091 . . . . 0.0 112.887 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt -58.32 -52.19 62.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 169.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.48 -41.88 92.84 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.199 0.6 . . . . 0.0 111.999 -176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 p -90.83 2.49 56.08 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -145.15 -64.21 0.34 Allowed 'General case' 0 C--N 1.338 0.094 0 CA-C-N 118.67 0.668 . . . . 0.0 111.617 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.03 -41.3 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 118.37 0.532 . . . . 0.0 111.749 -169.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 pt -124.48 15.31 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 118.893 0.769 . . . . 0.0 112.426 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.59 -34.47 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 121.548 -0.72 . . . . 0.0 112.42 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -87.0 -11.88 49.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.04 0.936 . . . . 0.0 112.155 -178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.1 171.75 14.54 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.827 0.851 . . . . 0.0 111.7 -174.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -140.35 -46.0 0.42 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.57 172.53 12.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.596 1.159 . . . . 0.0 109.387 -173.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -48.91 -41.28 33.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.322 1.449 . . . . 0.0 114.489 -169.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.39 -43.6 73.18 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -68.98 -35.75 77.08 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.003 0.521 . . . . 0.0 110.115 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.4 mtt-85 -69.57 -42.32 74.68 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 121.639 -0.663 . . . . 0.0 109.663 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.53 91.01 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.152 0.433 . . . . 0.0 110.326 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mmt -66.99 -36.55 82.42 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.598 0.636 . . . . 0.0 112.184 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.52 -53.08 47.81 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 173.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -54.42 -48.7 71.34 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 119.119 -0.467 . . . . 0.0 111.006 172.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.08 -53.71 55.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.065 0.546 . . . . 0.0 111.199 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -74.62 -32.6 62.37 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.684 0.674 . . . . 0.0 112.044 -169.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -68.77 -40.22 79.83 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 119.503 1.047 . . . . 0.0 110.65 173.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.3 -42.14 96.52 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.274 175.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.46 -33.33 71.16 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.858 0.754 . . . . 0.0 111.791 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -79.74 -21.83 44.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.287 0.635 . . . . 0.0 112.686 176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.4 m -100.84 -45.97 5.28 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.298 0.639 . . . . 0.0 112.627 -169.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.07 127.19 32.23 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -169.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -83.54 44.1 0.95 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.189 1.395 . . . . 0.0 110.467 -178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -63.21 156.39 69.1 Favored Pre-proline 0 CA--C 1.546 0.814 0 O-C-N 121.09 -1.006 . . . . 0.0 110.245 172.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.81 142.93 58.25 Favored 'Cis proline' 0 C--N 1.348 0.535 0 CA-C-N 119.805 0.966 . . . . 0.0 111.03 -6.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -145.66 164.89 30.35 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.8 ttt -92.69 146.05 23.95 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.399 -0.813 . . . . 0.0 109.01 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.38 172.28 34.16 Favored Glycine 0 C--N 1.333 0.366 0 O-C-N 121.416 -0.802 . . . . 0.0 112.148 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -99.6 124.79 45.14 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 169.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -82.84 103.49 12.36 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 169.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -86.91 61.79 7.01 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.319 1.848 . . . . 0.0 107.044 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -55.67 114.27 1.8 Allowed 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.83 1.252 . . . . 0.0 109.585 -173.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -84.77 51.81 2.24 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.986 0.914 . . . . 0.0 110.804 -174.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -140.42 19.94 2.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.76 0.824 . . . . 0.0 112.708 -171.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -57.46 -40.58 78.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.204 0.911 . . . . 0.0 112.19 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -132.69 -50.58 0.91 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.069 0.948 . . . . 0.0 109.29 174.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.4 p -143.28 -60.6 0.42 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.481 0.713 . . . . 0.0 109.107 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.6 m -145.34 36.13 1.09 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.817 1.647 . . . . 0.0 108.796 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 p -117.72 144.36 45.35 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.86 1.664 . . . . 0.0 109.389 -169.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.9 mm -79.63 143.31 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.487 0.66 . . . . 0.0 109.884 -170.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -137.46 150.35 47.53 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 104.192 -2.522 . . . . 0.0 104.192 168.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -122.34 129.45 52.16 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.657 0.662 . . . . 0.0 110.001 -169.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -129.86 144.36 51.27 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 169.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.1 m -90.61 126.29 35.91 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 m -137.44 159.6 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.836 0.827 . . . . 0.0 109.619 -169.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -110.56 120.25 41.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -81.16 137.67 20.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.81 -23.69 16.27 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 122.841 0.457 . . . . 0.0 110.988 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.5 169.99 24.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 108.762 -1.735 . . . . 0.0 108.762 -174.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 89.8 mtp -65.83 149.42 50.21 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 169.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.43 167.01 14.13 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 123.417 0.687 . . . . 0.0 109.875 171.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -52.44 146.78 31.65 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.785 2.323 . . . . 0.0 112.522 171.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -58.95 -27.1 65.01 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.623 0.769 . . . . 0.0 111.917 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.0 -23.14 63.41 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.423 1.489 . . . . 0.0 113.216 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.3 -5.38 12.96 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.707 0.803 . . . . 0.0 112.002 177.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -92.62 24.4 3.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.365 0.666 . . . . 0.0 112.097 -178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 mt -83.6 -3.73 57.96 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.063 0.945 . . . . 0.0 112.346 -176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -132.33 -24.27 2.07 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.968 0.907 . . . . 0.0 112.695 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -162.18 149.39 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -174.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.02 146.63 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.318 0.963 . . . . 0.0 109.191 176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -138.36 158.41 44.33 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.712 0.805 . . . . 0.0 110.603 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.19 141.9 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 125.902 1.681 . . . . 0.0 107.929 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.64 136.83 36.92 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 169.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.75 150.36 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.179 0.591 . . . . 0.0 109.524 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.08 130.44 55.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -86.21 90.6 8.2 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.267 0.627 . . . . 0.0 110.597 -169.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.7 mt -58.99 -36.18 60.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 C-N-CA 124.228 1.011 . . . . 0.0 108.926 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.53 17.17 11.1 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.137 1.351 . . . . 0.0 113.129 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.93 -132.78 2.45 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 126.041 1.781 . . . . 0.0 108.791 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -60.58 -30.48 69.83 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.36 -174.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.0 t70 50.27 27.22 2.56 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.056 1.743 . . . . 0.0 112.811 -172.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -153.34 15.15 0.52 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.762 1.625 . . . . 0.0 110.647 -172.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -150.21 159.98 44.03 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 125.71 1.604 . . . . 0.0 107.963 -175.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.7 p -131.23 151.78 36.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 124.35 1.06 . . . . 0.0 110.396 -169.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -142.02 179.84 6.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 127.219 2.208 . . . . 0.0 107.477 -169.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.0 m -129.68 139.62 51.33 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 172.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.32 152.11 50.88 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.423 1.489 . . . . 0.0 107.439 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.24 142.82 45.3 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 169.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.63 -29.26 66.39 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 170.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.0 m -60.24 -14.09 15.99 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.716 1.606 . . . . 0.0 113.96 173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -116.99 12.47 14.61 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.682 1.193 . . . . 0.0 109.764 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -113.95 144.74 20.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 O-C-N 120.403 -1.436 . . . . 0.0 108.721 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -131.37 109.94 10.7 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 172.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.28 149.76 49.07 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.241 0.543 . . . . 0.0 110.206 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.7 mt -118.43 132.75 67.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.73 39.27 9.97 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.024 1.729 . . . . 0.0 113.236 173.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -95.59 171.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.605 0.762 . . . . 0.0 110.221 -175.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.02 158.9 27.12 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 122.438 1.113 . . . . 0.0 110.968 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.43 -42.32 87.03 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.338 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -77.11 -27.77 54.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.469 0.577 . . . . 0.0 110.705 -175.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.438 HG21 HG21 ' A' ' 105' ' ' VAL . 39.2 m -68.64 -47.06 67.55 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 172.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 -46.45 88.6 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.32 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.86 98.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.859 0.754 . . . . 0.0 111.414 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 53.4 mt -64.44 -49.07 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.17 -45.44 83.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.448 0.567 . . . . 0.0 110.127 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.449 ' HB2' HH21 ' A' ' 10' ' ' ARG . 21.9 t70 -59.64 -41.56 90.79 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.886 0.875 . . . . 0.0 111.751 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -69.2 -42.74 75.39 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.994 0.518 . . . . 0.0 110.57 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.41 -30.86 71.72 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.626 -0.702 . . . . 0.0 110.974 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -64.22 -50.64 67.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 119.474 1.034 . . . . 0.0 109.639 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -58.22 -39.1 78.18 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.09 0.859 . . . . 0.0 111.151 177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.44 -55.56 32.02 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 121.253 -0.904 . . . . 0.0 110.198 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.2 66.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.832 0.853 . . . . 0.0 112.481 -177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 -69.82 -13.36 62.23 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.32 1.048 . . . . 0.0 110.924 175.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.66 36.89 31.93 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -170.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 56.15 -172.85 0.07 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.996 2.118 . . . . 0.0 112.258 -176.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -127.81 -36.07 2.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.909 169.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 9.8 p90 . . . . . 0 C--O 1.251 1.149 0 CA-C-N 119.918 1.235 . . . . 0.0 109.617 169.713 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 tpp . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.28 167.34 27.27 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.116 1.367 . . . . 0.0 108.61 175.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -123.43 17.3 9.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.801 1.641 . . . . 0.0 111.162 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.75 139.54 17.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 104.609 -2.367 . . . . 0.0 104.609 169.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -138.32 10.21 2.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.242 0.617 . . . . 0.0 112.586 -169.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.68 81.09 1.6 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -133.85 18.77 3.83 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.196 1.398 . . . . 0.0 110.351 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.82 -28.14 65.75 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -169.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -56.32 -49.66 73.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.729 1.212 . . . . 0.0 110.153 172.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -80.02 -34.6 38.25 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.839 -176.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -59.3 -39.46 83.07 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.88 1.218 . . . . 0.0 110.265 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -63.44 -47.69 80.87 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.292 0.496 . . . . 0.0 110.708 174.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -56.66 -48.37 77.75 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.954 0.797 . . . . 0.0 110.343 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.8 mt -55.91 -53.55 36.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.45 -36.43 80.37 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.487 0.715 . . . . 0.0 112.049 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 p -101.96 -12.7 18.0 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -169.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -133.76 -14.22 2.48 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -172.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.03 -47.49 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 119.822 1.192 . . . . 0.0 109.914 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 pt -116.64 14.41 7.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.62 0.768 . . . . 0.0 111.701 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 p -55.31 -34.98 34.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 124.278 1.031 . . . . 0.0 112.046 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -87.76 -10.25 51.6 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.956 0.902 . . . . 0.0 112.101 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 175.02 10.71 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.704 0.802 . . . . 0.0 111.525 -176.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -148.46 -43.91 0.15 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.104 0.962 . . . . 0.0 109.776 177.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -129.25 169.72 14.48 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.751 1.22 . . . . 0.0 108.725 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -51.78 -39.21 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.994 1.718 . . . . 0.0 114.619 -169.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.42 -42.41 83.26 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -69.2 -33.55 73.51 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.149 0.58 . . . . 0.0 110.331 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -68.04 -42.82 79.97 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.58 -0.7 . . . . 0.0 109.355 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.85 95.23 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.588 0.355 . . . . 0.0 110.57 174.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.8 mmt -64.99 -39.21 93.13 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.594 0.634 . . . . 0.0 112.209 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -49.91 68.94 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -57.95 -49.1 77.94 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 119.171 -0.442 . . . . 0.0 111.429 172.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -57.58 -52.93 63.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.521 0.329 . . . . 0.0 110.743 -174.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -72.79 -31.04 64.57 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 118.909 -0.567 . . . . 0.0 111.583 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -63.65 -46.31 86.18 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.175 0.898 . . . . 0.0 110.238 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.48 -42.95 86.7 Favored 'General case' 0 N--CA 1.458 -0.059 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.669 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.72 -35.23 75.81 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.566 0.621 . . . . 0.0 111.565 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.39 -24.58 57.22 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -98.25 -46.57 5.77 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -169.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -67.26 128.58 36.91 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.801 0.84 . . . . 0.0 110.056 -169.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -78.81 20.8 0.44 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.254 1.422 . . . . 0.0 114.248 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.442 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 20.2 p90 -53.49 153.31 7.66 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -169.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.73 147.54 46.24 Favored 'Cis proline' 0 C--N 1.352 0.746 0 CA-C-N 119.445 0.838 . . . . 0.0 113.768 -7.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -149.75 164.01 36.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.524 1.13 . . . . 0.0 109.324 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.0 ttt -90.95 145.97 24.27 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.936 -1.103 . . . . 0.0 109.865 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.22 168.78 33.13 Favored Glycine 0 C--N 1.335 0.526 0 O-C-N 121.097 -1.002 . . . . 0.0 111.472 171.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -97.62 125.75 42.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.247 -1.761 . . . . 0.0 106.247 169.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -84.65 103.02 13.4 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 169.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -84.81 65.93 9.39 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.481 1.512 . . . . 0.0 107.228 171.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -56.11 109.05 0.53 Allowed 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 123.665 0.786 . . . . 0.0 109.375 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -76.0 -28.2 57.71 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.036 1.334 . . . . 0.0 110.012 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -77.66 48.84 0.7 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.928 1.691 . . . . 0.0 111.845 -176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -137.17 163.91 29.73 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.183 1.393 . . . . 0.0 109.08 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.2 tttm 56.02 -76.57 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.555 2.342 . . . . 0.0 110.829 -169.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 p -142.47 -53.98 0.42 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.871 1.669 . . . . 0.0 107.108 175.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 62.7 m -161.84 56.61 0.26 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.442 1.897 . . . . 0.0 107.315 172.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -128.28 143.19 51.0 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -170.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.21 139.31 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.86 151.3 50.79 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 169.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -121.99 121.85 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.898 -0.501 . . . . 0.0 110.141 -169.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -122.79 142.57 50.59 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 m -96.49 122.86 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.9 m -136.82 157.23 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 122.228 1.013 . . . . 0.0 111.139 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -103.18 116.81 33.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 168.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.22 113.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 171.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.08 -31.93 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.958 0.503 . . . . 0.0 110.786 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.442 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 169.56 176.89 39.73 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.146 -1.581 . . . . 0.0 109.146 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.9 mtp -64.63 149.82 48.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 170.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.22 166.96 11.22 Favored Pre-proline 0 CA--C 1.543 0.674 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 169.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.84 147.29 14.53 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.424 2.083 . . . . 0.0 111.98 171.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -57.29 -30.62 64.87 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.039 0.536 . . . . 0.0 111.266 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.18 -26.58 68.22 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.054 0.942 . . . . 0.0 112.691 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -79.0 -33.41 44.99 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.8 -0.563 . . . . 0.0 109.921 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 70.7 m -82.64 28.1 0.49 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.716 1.206 . . . . 0.0 113.511 -169.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.93 -16.51 40.79 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.111 0.965 . . . . 0.0 113.238 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -132.65 -21.01 2.25 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -154.71 170.97 20.33 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.1 mmt -93.52 139.93 30.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 170.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -134.43 156.98 47.61 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.019 0.527 . . . . 0.0 109.816 -175.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.82 140.62 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.872 1.269 . . . . 0.0 108.487 -173.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -79.27 133.38 36.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 169.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.38 147.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.38 123.49 44.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -75.99 109.35 9.56 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.3 mt -67.16 -30.94 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 124.736 1.214 . . . . 0.0 109.911 -173.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.34 -37.02 8.41 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.4 -48.25 25.03 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.204 0.907 . . . . 0.0 112.271 -173.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -145.84 -42.79 0.21 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.374 1.087 . . . . 0.0 112.638 -173.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.8 t70 52.1 22.75 1.99 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.451 1.5 . . . . 0.0 112.301 -169.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -154.83 11.77 0.37 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.688 1.595 . . . . 0.0 111.048 -170.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -147.53 159.74 43.4 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.392 1.477 . . . . 0.0 107.455 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.4 148.35 29.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.749 0.82 . . . . 0.0 109.073 -169.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.89 -178.08 4.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.971 2.509 . . . . 0.0 107.866 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -127.8 138.89 52.88 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.83 159.47 35.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.755 1.622 . . . . 0.0 108.316 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 140.51 39.66 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 169.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.83 -28.79 70.1 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 168.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.9 m -61.63 -7.28 3.18 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.124 1.769 . . . . 0.0 113.711 172.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.21 9.03 10.36 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.016 1.326 . . . . 0.0 109.736 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mm -113.84 147.22 17.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 O-C-N 120.532 -1.355 . . . . 0.0 109.283 -173.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.81 107.84 8.12 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.59 153.31 44.01 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.421 0.629 . . . . 0.0 110.686 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.6 mt -122.43 131.81 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 125.306 1.442 . . . . 0.0 107.122 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.6 t70 51.11 36.84 16.52 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.832 1.653 . . . . 0.0 113.984 173.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.8 m -89.17 172.28 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 O-C-N 121.565 -0.709 . . . . 0.0 110.389 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.57 164.74 24.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 122.182 0.991 . . . . 0.0 110.01 169.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.08 -35.42 73.35 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.844 1.258 . . . . 0.0 111.145 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.36 -41.97 69.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.214 0.915 . . . . 0.0 111.022 -174.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.9 m -64.04 -47.66 79.34 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -63.0 -37.16 86.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.228 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.92 -41.99 81.75 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.826 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.9 86.54 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.269 0.941 . . . . 0.0 110.658 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.44 -53.32 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.655 0.782 . . . . 0.0 109.281 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.13 -47.39 86.13 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.669 0.387 . . . . 0.0 110.55 -175.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.14 -38.43 76.54 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 125.168 1.387 . . . . 0.0 111.01 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -67.83 -42.05 82.05 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.069 0.548 . . . . 0.0 110.9 175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.12 -32.38 73.47 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.565 -0.709 . . . . 0.0 111.193 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -67.29 -40.9 86.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.368 0.985 . . . . 0.0 110.179 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.61 -37.51 84.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 120.05 1.295 . . . . 0.0 111.957 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 50.7 tp -59.73 -47.05 87.22 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.555 0.742 . . . . 0.0 109.339 173.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.74 -28.42 69.03 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 172.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -8.18 53.65 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.104 1.362 . . . . 0.0 111.185 177.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.76 30.73 61.29 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-O 118.471 -1.183 . . . . 0.0 112.008 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 59.91 171.23 0.08 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.541 2.336 . . . . 0.0 114.807 173.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -135.3 10.08 3.49 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.604 1.562 . . . . 0.0 110.724 169.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 124.358 1.063 . . . . 0.0 109.032 169.347 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 tpp . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.9 151.91 46.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 122.049 -0.407 . . . . 0.0 110.058 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -138.62 31.41 2.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.017 1.727 . . . . 0.0 108.325 170.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -73.52 -20.84 18.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.761 1.624 . . . . 0.0 111.452 -169.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -53.8 127.32 25.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.33 1.452 . . . . 0.0 109.704 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -37.34 85.21 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.796 0.438 . . . . 0.0 110.312 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -172.69 166.87 5.41 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 127.145 2.178 . . . . 0.0 106.236 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -55.42 -30.14 59.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.853 0.752 . . . . 0.0 111.095 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 m -59.09 -27.37 65.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.345 1.058 . . . . 0.0 112.364 173.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -75.61 -46.1 33.66 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 120.024 -1.672 . . . . 0.0 109.158 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -58.88 -39.83 82.59 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.262 0.625 . . . . 0.0 110.635 176.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.97 -52.18 66.85 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.596 0.759 . . . . 0.0 109.737 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -65.26 -36.99 85.82 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 119.068 0.849 . . . . 0.0 111.336 -176.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -55.32 -53.63 33.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.28 -41.13 96.43 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.932 -175.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.0 p -99.28 -9.58 23.43 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.514 1.052 . . . . 0.0 113.613 -169.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -126.17 -18.84 4.88 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.549 1.068 . . . . 0.0 113.021 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.2 mt -114.73 -46.94 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 119.836 1.198 . . . . 0.0 109.861 -172.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 pt -122.21 15.47 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.308 0.643 . . . . 0.0 112.462 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -54.06 -36.47 31.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 124.691 1.196 . . . . 0.0 113.043 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.03 -7.94 47.38 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.716 0.807 . . . . 0.0 111.811 -176.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.06 161.16 29.11 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.652 -0.655 . . . . 0.0 111.813 -174.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.42 -24.27 0.24 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.124 0.97 . . . . 0.0 112.383 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -149.73 175.64 11.41 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.751 1.22 . . . . 0.0 108.877 -174.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 28' ' ' ARG . 16.7 ptpt -56.02 -38.57 70.69 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 124.52 1.128 . . . . 0.0 113.385 -172.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.84 -44.36 70.08 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.37 -37.64 77.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.134 -173.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' HE ' ' HB2' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -69.86 -39.48 76.35 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.772 1.169 . . . . 0.0 109.549 -178.538 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.37 86.38 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 119.29 -0.386 . . . . 0.0 110.823 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.9 mmt -62.35 -37.13 84.46 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.658 0.663 . . . . 0.0 111.362 170.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.94 60.11 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 118.996 0.816 . . . . 0.0 111.394 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -56.11 -50.87 69.85 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.433 0.617 . . . . 0.0 109.869 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.59 -49.71 72.27 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.781 1.232 . . . . 0.0 110.954 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -64.9 -41.33 95.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.158 0.435 . . . . 0.0 110.118 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -65.08 -45.8 83.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.108 0.413 . . . . 0.0 110.444 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -65.35 -46.04 81.79 Favored 'General case' 0 C--O 1.228 -0.044 0 C-N-CA 122.985 0.514 . . . . 0.0 109.734 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -59.68 -34.56 73.02 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.131 0.572 . . . . 0.0 111.954 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.41 -24.33 54.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.164 0.585 . . . . 0.0 112.406 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -96.53 -46.35 6.38 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.892 0.477 . . . . 0.0 111.481 -170.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.91 121.52 15.69 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -171.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -84.78 53.43 2.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.725 0.81 . . . . 0.0 109.813 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -64.78 159.82 59.39 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 123.34 0.656 . . . . 0.0 111.698 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.92 142.26 25.79 Favored 'Cis proline' 0 C--N 1.351 0.704 0 CA-C-N 119.615 0.898 . . . . 0.0 112.348 -10.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -146.43 161.71 39.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.845 0.858 . . . . 0.0 109.305 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.5 ttt -95.44 146.91 24.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.093 -1.005 . . . . 0.0 110.551 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.52 170.35 34.02 Favored Glycine 0 C--N 1.335 0.477 0 O-C-N 121.451 -0.781 . . . . 0.0 111.46 171.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -99.47 126.66 45.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -81.93 103.39 11.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 168.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -94.86 62.79 2.69 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.52 112.07 0.93 Allowed 'General case' 0 CA--C 1.524 -0.048 0 C-N-CA 124.455 1.102 . . . . 0.0 109.07 -173.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -86.14 -22.82 26.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 118.859 0.754 . . . . 0.0 111.12 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -71.08 -4.14 23.55 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.9 tpt85 -51.15 -35.92 38.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.875 1.216 . . . . 0.0 112.419 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -147.48 59.81 1.15 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 169.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m 73.64 -50.2 0.69 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.919 2.088 . . . . 0.0 112.54 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 m -141.18 -4.9 1.13 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.4 p -72.39 121.91 20.32 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.683 1.129 . . . . 0.0 109.167 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm -66.18 134.35 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.97 150.94 51.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 104.22 -2.511 . . . . 0.0 104.22 169.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.91 134.5 52.65 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 121.691 -0.631 . . . . 0.0 111.161 -168.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -140.91 139.6 34.37 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 169.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -91.97 129.99 37.81 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.9 m -142.39 154.67 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 122.418 1.104 . . . . 0.0 111.367 -169.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -98.92 118.61 36.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 104.589 -2.375 . . . . 0.0 104.589 168.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.82 115.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 105.959 -1.867 . . . . 0.0 105.959 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.43 -29.34 41.83 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.157 0.583 . . . . 0.0 110.682 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.17 179.25 39.49 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.2 148.39 48.23 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 170.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.34 164.04 47.16 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 123.209 0.604 . . . . 0.0 110.626 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -51.27 152.82 10.7 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 123.362 2.708 . . . . 0.0 113.088 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.7 -30.63 56.35 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.312 1.045 . . . . 0.0 112.686 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.1 -32.25 72.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.485 0.714 . . . . 0.0 112.116 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -88.06 -41.01 13.36 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 97.5 m -70.01 9.03 0.61 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.8 mt -92.54 -14.85 27.75 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.599 1.56 . . . . 0.0 111.209 169.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -106.43 -42.29 5.06 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 111.096 -168.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -158.12 176.31 12.66 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 128.302 2.641 . . . . 0.0 104.157 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 24.6 mmt -84.99 135.11 34.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 120.172 1.351 . . . . 0.0 108.384 169.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -137.04 157.25 47.13 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.204 1.002 . . . . 0.0 109.314 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.32 142.17 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 125.403 1.481 . . . . 0.0 107.927 -175.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -80.56 131.34 35.51 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 169.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -137.72 147.93 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 122.833 0.453 . . . . 0.0 110.025 -173.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.51 138.04 51.14 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 124.215 1.006 . . . . 0.0 108.7 -178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -72.04 121.59 19.44 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.527 0.731 . . . . 0.0 111.685 -173.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.8 mt -86.0 63.54 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -149.82 -48.23 0.02 OUTLIER Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.216 0.912 . . . . 0.0 110.849 175.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.7 -22.1 0.04 OUTLIER Glycine 0 CA--C 1.528 0.894 0 C-N-CA 123.824 0.726 . . . . 0.0 113.619 175.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 28.42 0.87 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.03 1.415 . . . . 0.0 110.262 178.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -56.8 -32.88 66.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.25 1.02 . . . . 0.0 111.266 174.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.37 -12.29 61.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.807 1.243 . . . . 0.0 112.89 178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -124.05 62.72 1.08 Allowed 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.288 1.435 . . . . 0.0 109.021 -171.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t -53.08 143.97 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 125.451 1.5 . . . . 0.0 110.095 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -120.41 -179.38 3.95 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.979 2.112 . . . . 0.0 109.399 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.5 m -126.54 133.53 51.09 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 169.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.59 154.98 43.21 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.341 1.457 . . . . 0.0 107.891 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -72.14 134.93 46.02 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.31 -27.71 69.23 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 168.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m -66.1 -0.25 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.895 2.078 . . . . 0.0 113.442 174.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.74 10.1 5.99 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.871 1.668 . . . . 0.0 109.71 178.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -115.84 149.94 17.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 O-C-N 120.498 -1.376 . . . . 0.0 108.758 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -137.29 119.65 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.09 148.84 41.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 122.724 0.41 . . . . 0.0 110.64 -174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 94.4 mt -120.76 128.21 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 124.978 1.311 . . . . 0.0 108.138 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.51 34.24 9.14 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.002 1.721 . . . . 0.0 113.741 171.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -84.63 174.82 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.44 0.696 . . . . 0.0 111.23 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.86 161.98 22.7 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.516 0.674 . . . . 0.0 109.856 170.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.28 -39.11 89.22 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.733 1.213 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -72.76 -35.78 67.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.751 0.705 . . . . 0.0 110.438 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -67.71 -45.1 76.07 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -43.8 94.0 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.948 0.794 . . . . 0.0 109.676 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.16 -37.82 81.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.288 0.635 . . . . 0.0 111.616 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.2 -43.9 96.86 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.58 0.627 . . . . 0.0 111.363 176.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.88 -50.49 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.57 -48.1 82.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.786 0.434 . . . . 0.0 109.906 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.25 -39.13 91.87 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.205 0.602 . . . . 0.0 111.547 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -66.32 -42.77 87.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.69 -33.9 77.03 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 118.474 -0.775 . . . . 0.0 110.787 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.65 -49.51 74.89 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 119.495 1.043 . . . . 0.0 109.618 173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -63.14 -37.08 85.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.672 0.669 . . . . 0.0 111.177 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.42 -51.35 67.9 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.421 -0.8 . . . . 0.0 109.78 174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.0 67.81 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.61 0.764 . . . . 0.0 112.31 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -65.31 -14.12 60.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.714 1.206 . . . . 0.0 110.902 175.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.17 34.55 46.17 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 56.36 -177.98 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.101 2.16 . . . . 0.0 112.95 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -132.43 -4.26 3.37 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 171.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.534 ' HB2' ' HE ' ' A' ' 28' ' ' ARG . 30.6 m-85 . . . . . 0 C--O 1.248 0.987 0 N-CA-C 104.802 -2.295 . . . . 0.0 104.802 176.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.48 146.59 38.41 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 171.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -79.86 25.91 0.34 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.599 1.56 . . . . 0.0 112.136 -174.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.7 -17.88 21.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 C-N-CA 125.983 1.713 . . . . 0.0 112.614 -170.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -65.23 161.12 19.98 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.332 -0.855 . . . . 0.0 112.08 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -64.67 -54.51 30.59 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -164.23 -171.83 2.54 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.519 1.927 . . . . 0.0 106.514 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.41 0.6 2.05 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.042 -1.036 . . . . 0.0 112.369 174.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -53.67 -50.07 66.58 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.923 1.289 . . . . 0.0 109.805 169.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -66.83 -42.25 86.13 Favored 'General case' 0 N--CA 1.457 -0.083 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.343 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -56.86 -44.33 82.07 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.212 0.46 . . . . 0.0 110.379 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -62.43 -47.6 83.34 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.174 0.59 . . . . 0.0 109.987 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 -61.48 -44.89 96.28 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.011 0.823 . . . . 0.0 110.718 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.68 -56.25 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.37 -35.84 81.36 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -171.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.1 p -106.45 1.22 25.39 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -141.46 -45.17 0.37 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.842 0.746 . . . . 0.0 111.942 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.29 -45.38 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 119.108 0.867 . . . . 0.0 110.071 -170.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.2 pt -122.37 13.6 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.736 0.814 . . . . 0.0 112.248 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -53.95 -35.19 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.098 0.959 . . . . 0.0 112.714 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -85.74 -11.79 52.71 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.881 0.872 . . . . 0.0 112.291 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.44 176.84 9.42 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.872 0.869 . . . . 0.0 111.883 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -147.41 -43.11 0.17 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.065 0.946 . . . . 0.0 110.367 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -135.94 168.64 18.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.948 1.299 . . . . 0.0 108.284 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -48.54 -38.95 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.562 1.945 . . . . 0.0 114.687 -169.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.64 -42.71 77.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.588 0.631 . . . . 0.0 109.431 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -69.35 -34.61 74.85 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.463 0.705 . . . . 0.0 110.103 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -68.35 -42.43 79.26 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 121.63 -0.669 . . . . 0.0 109.4 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.55 85.6 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.257 0.48 . . . . 0.0 110.293 172.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.3 mmt -63.77 -38.02 89.52 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 118.654 -0.688 . . . . 0.0 112.068 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.56 57.16 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.303 0.956 . . . . 0.0 111.027 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -57.34 -47.3 81.94 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.875 0.47 . . . . 0.0 111.113 175.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -60.25 -48.2 82.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.683 0.793 . . . . 0.0 110.799 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -66.07 -42.61 89.17 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.727 0.694 . . . . 0.0 110.338 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.45 -46.86 86.6 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.669 0.387 . . . . 0.0 110.472 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.2 -44.21 84.59 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-O 118.673 -0.679 . . . . 0.0 109.909 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.65 -33.26 72.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.075 0.852 . . . . 0.0 111.732 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.15 -24.24 51.56 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.135 0.574 . . . . 0.0 112.153 177.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.9 m -98.15 -45.5 6.19 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.985 0.514 . . . . 0.0 111.922 -170.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.5 mt -68.93 125.4 26.51 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.072 0.949 . . . . 0.0 108.966 -169.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -83.63 61.16 6.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.092 1.357 . . . . 0.0 110.303 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -64.27 156.74 74.5 Favored Pre-proline 0 CA--C 1.542 0.635 0 O-C-N 121.531 -0.731 . . . . 0.0 112.212 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.54 151.26 96.32 Favored 'Cis proline' 0 C--N 1.348 0.521 0 N-CA-C 108.812 -1.265 . . . . 0.0 108.812 -10.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -141.97 162.05 36.44 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.305 0.502 . . . . 0.0 111.052 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 ttt -90.02 144.83 25.56 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.62 169.94 32.93 Favored Glycine 0 N--CA 1.447 -0.569 0 O-C-N 121.481 -0.762 . . . . 0.0 111.198 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -98.23 124.33 42.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 169.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -83.76 102.35 12.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -94.99 68.24 3.17 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -51.02 122.03 6.93 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 125.492 1.517 . . . . 0.0 108.902 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.54 171.72 9.85 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.206 1.002 . . . . 0.0 109.677 -176.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 m 58.21 38.62 26.24 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.701 1.201 . . . . 0.0 111.883 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -52.97 -43.96 66.78 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.722 0.809 . . . . 0.0 110.866 172.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -149.55 -46.88 0.14 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.099 0.96 . . . . 0.0 110.778 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 m -141.59 59.7 1.49 Allowed 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 -169.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m 59.47 14.12 3.65 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.96 1.304 . . . . 0.0 112.668 -169.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 p -73.16 173.53 9.28 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.998 2.119 . . . . 0.0 110.782 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.3 mm -120.81 138.95 49.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 C-N-CA 124.728 1.211 . . . . 0.0 107.768 -169.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -125.31 152.18 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 168.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.13 148.93 50.61 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.962 1.255 . . . . 0.0 112.394 -174.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -139.38 148.66 43.15 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 170.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.7 m -100.55 125.61 46.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.1 m -136.82 158.64 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 122.249 1.023 . . . . 0.0 112.071 -168.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.8 118.21 36.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 169.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -84.92 137.63 20.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -98.32 -22.72 15.96 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.887 0.475 . . . . 0.0 111.43 -175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.95 174.24 26.41 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 -172.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.6 mtp -65.49 153.45 41.38 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.298 0.57 . . . . 0.0 110.009 169.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.63 169.29 5.33 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.302 169.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -51.98 155.52 8.47 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.017 2.478 . . . . 0.0 112.962 171.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.85 -32.67 66.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.591 0.756 . . . . 0.0 111.763 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.48 -26.77 66.53 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.046 0.538 . . . . 0.0 112.145 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -80.6 -40.4 25.79 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 83.3 m -77.13 10.07 2.63 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.885 0.874 . . . . 0.0 112.876 -172.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -18.6 54.75 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.998 2.119 . . . . 0.0 111.478 -177.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -130.9 -27.53 2.07 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.623 0.769 . . . . 0.0 113.024 -170.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -154.83 169.44 23.99 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -86.83 136.86 32.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 120.395 1.452 . . . . 0.0 108.271 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -138.28 157.73 45.69 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.687 0.795 . . . . 0.0 110.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.96 141.99 28.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.301 1.44 . . . . 0.0 108.633 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.88 135.52 35.93 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 170.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.3 m -139.75 148.88 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 123.236 0.615 . . . . 0.0 109.844 -174.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.71 132.51 55.12 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 124.949 1.299 . . . . 0.0 107.637 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -73.1 115.61 12.64 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 122.843 0.457 . . . . 0.0 110.553 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -76.69 -27.37 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.61 -35.65 81.82 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.241 0.924 . . . . 0.0 113.416 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.57 -44.7 0.02 OUTLIER Glycine 0 CA--C 1.526 0.719 0 CA-C-O 118.596 -1.113 . . . . 0.0 114.524 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -70.39 -43.52 69.88 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.249 1.525 . . . . 0.0 111.439 -169.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.0 t70 59.57 -19.49 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.918 2.887 . . . . 0.0 116.785 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -140.35 24.02 2.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.422 1.489 . . . . 0.0 110.987 -169.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -136.75 156.92 47.88 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.267 1.427 . . . . 0.0 108.744 174.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.3 t -132.69 146.02 33.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 124.265 1.026 . . . . 0.0 109.099 -169.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -129.01 -178.97 4.85 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.726 2.41 . . . . 0.0 108.492 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 m -125.69 136.56 53.34 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 169.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.56 156.49 39.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.713 1.605 . . . . 0.0 107.981 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 139.54 45.13 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 169.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -28.94 69.58 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 168.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m -61.27 -9.62 5.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.871 2.468 . . . . 0.0 113.856 173.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -122.87 10.07 9.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.551 1.54 . . . . 0.0 109.537 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -112.81 145.77 18.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 O-C-N 120.762 -1.211 . . . . 0.0 108.313 -176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -133.48 108.87 8.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.86 150.46 47.76 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.254 0.549 . . . . 0.0 110.343 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.2 mt -119.29 132.93 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 47.37 41.17 12.09 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.984 1.714 . . . . 0.0 113.098 174.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.422 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -99.02 171.26 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.663 0.785 . . . . 0.0 110.48 -174.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.3 159.53 26.5 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 122.049 0.928 . . . . 0.0 110.861 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.495 1.118 . . . . 0.0 110.88 -179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -73.69 -28.84 61.95 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.538 0.608 . . . . 0.0 110.62 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.422 HG21 HG21 ' A' ' 105' ' ' VAL . 34.5 m -70.9 -47.09 61.06 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 174.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -43.61 98.55 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.48 -46.02 89.99 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.16 178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.02 91.0 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.983 0.81 . . . . 0.0 111.473 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.2 mt -67.68 -50.78 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 122.921 0.488 . . . . 0.0 109.731 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.14 82.78 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.608 0.64 . . . . 0.0 110.511 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.492 ' HA ' ' CE2' ' A' ' 118' ' ' TYR . 17.3 t70 -64.77 -43.2 94.03 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.717 0.807 . . . . 0.0 111.144 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -63.96 -36.37 83.73 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 122.09 -0.381 . . . . 0.0 111.189 172.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 50.4 mt -71.4 -40.46 70.51 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.139 -0.976 . . . . 0.0 111.697 -175.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 115' ' ' ASP . 1.1 p90 -70.64 -29.84 66.31 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 120.251 1.387 . . . . 0.0 110.379 173.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -65.15 -35.88 82.49 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.369 -0.832 . . . . 0.0 109.769 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.19 -48.79 77.87 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.629 -0.669 . . . . 0.0 109.585 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.13 -25.1 67.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 112.984 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.51 -22.41 32.64 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.225 1.41 . . . . 0.0 113.964 176.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.31 34.83 25.06 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -169.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.48 166.13 0.08 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.422 2.289 . . . . 0.0 114.11 173.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -131.61 -8.93 3.63 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.939 1.296 . . . . 0.0 112.088 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 8.1 p90 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 126.519 1.928 . . . . 0.0 107.581 -176.434 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.23 163.92 14.32 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.187 0.595 . . . . 0.0 111.343 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -122.68 23.02 9.67 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.241 1.816 . . . . 0.0 110.47 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 p -139.87 150.8 21.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 170.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -62.44 172.08 1.69 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.244 1.418 . . . . 0.0 111.371 -176.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -45.53 63.27 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.045 0.938 . . . . 0.0 112.111 -170.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 t70 50.32 -66.82 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.842 2.857 . . . . 0.0 113.311 -169.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 56.84 -27.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 131.484 3.913 . . . . 0.0 116.26 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 p -58.38 -45.91 87.38 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.38 1.072 . . . . 0.0 110.564 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -72.32 -38.68 68.61 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.198 177.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -59.06 -42.66 90.88 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.612 1.096 . . . . 0.0 109.988 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -62.85 -45.59 91.86 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.862 0.465 . . . . 0.0 110.841 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -64.6 -41.64 96.1 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.586 -0.697 . . . . 0.0 111.468 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.8 mt -55.89 -53.72 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 174.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.88 -41.46 82.54 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.609 0.764 . . . . 0.0 111.77 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.6 p -93.17 -14.27 27.36 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -171.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -129.94 -13.07 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mt -121.11 -39.56 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 119.579 1.081 . . . . 0.0 109.981 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.6 pt -126.39 14.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.51 -31.78 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.192 0.997 . . . . 0.0 112.485 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -96.09 11.27 34.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.582 1.153 . . . . 0.0 111.472 -175.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.49 152.82 51.71 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 124.623 1.169 . . . . 0.0 110.006 -169.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.45 -37.66 0.23 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.642 0.777 . . . . 0.0 111.135 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -80.06 163.29 24.29 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -64.86 -34.93 79.54 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.179 -0.95 . . . . 0.0 111.439 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.45 -43.99 79.75 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -66.04 -45.56 80.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.95 0.5 . . . . 0.0 109.659 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -68.43 -34.65 76.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 118.728 -0.653 . . . . 0.0 111.15 -176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -44.76 96.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.841 0.746 . . . . 0.0 110.33 169.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.6 mmt -67.09 -33.73 76.11 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.674 -0.641 . . . . 0.0 112.474 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.97 -50.29 67.27 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -57.85 -48.36 80.02 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 118.999 -0.524 . . . . 0.0 111.183 171.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.01 -54.21 49.46 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.083 0.401 . . . . 0.0 111.406 -173.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -73.87 -29.12 61.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.878 -0.582 . . . . 0.0 111.11 -173.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -63.33 -46.48 86.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.186 0.903 . . . . 0.0 110.139 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.0 -46.51 84.2 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.469 0.708 . . . . 0.0 109.759 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.37 -33.93 71.78 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.372 0.533 . . . . 0.0 111.978 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.85 -23.01 49.05 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.191 0.596 . . . . 0.0 112.529 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -98.98 -44.98 6.12 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.202 0.601 . . . . 0.0 111.855 -169.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -66.71 123.59 20.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.403 1.081 . . . . 0.0 109.989 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -82.08 46.39 1.01 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.423 1.489 . . . . 0.0 110.457 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 26.6 p90 -64.19 157.92 67.39 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 121.094 -1.004 . . . . 0.0 110.967 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.81 147.88 77.36 Favored 'Cis proline' 0 C--N 1.35 0.611 0 CA-C-N 119.707 0.931 . . . . 0.0 110.974 -8.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -150.69 166.57 29.99 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.88 0.472 . . . . 0.0 109.834 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -88.96 145.93 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.476 -0.765 . . . . 0.0 109.689 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.64 169.85 31.75 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 171.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -99.02 124.33 43.93 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.62 102.62 11.57 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -92.18 64.21 4.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 126.309 1.844 . . . . 0.0 106.371 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -64.29 131.62 47.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -172.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -56.42 142.59 37.99 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.207 0.912 . . . . 0.0 108.841 169.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.1 m -59.0 166.51 1.98 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.996 0.903 . . . . 0.0 112.643 -176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -53.56 -31.21 45.66 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.249 1.42 . . . . 0.0 113.388 -174.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -146.73 -42.42 0.19 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 118.876 0.762 . . . . 0.0 111.396 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.8 p -67.29 161.34 25.21 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.842 0.857 . . . . 0.0 111.024 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 m -77.29 4.54 10.41 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.545 1.138 . . . . 0.0 112.888 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 p -72.52 -173.74 1.21 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.363 1.465 . . . . 0.0 110.71 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.7 mm -129.15 137.99 55.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -113.65 148.98 35.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 104.194 -2.521 . . . . 0.0 104.194 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -128.95 131.57 47.52 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.169 -0.957 . . . . 0.0 109.873 -170.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -131.45 146.38 52.23 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 173.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.9 m -97.79 125.83 42.83 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.28 156.28 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 122.02 0.914 . . . . 0.0 111.155 -169.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -105.47 116.23 31.59 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 104.444 -2.428 . . . . 0.0 104.444 169.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -73.26 143.45 13.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -103.56 -24.45 13.41 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.334 0.654 . . . . 0.0 110.757 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.67 176.59 32.95 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.84 148.8 42.12 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.07 168.97 7.78 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 169.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.0 147.08 27.43 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.037 1.824 . . . . 0.0 111.694 169.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -58.81 -31.22 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.961 0.504 . . . . 0.0 111.144 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -65.21 -26.79 68.29 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.86 0.864 . . . . 0.0 112.461 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -79.84 -26.32 40.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.883 -0.511 . . . . 0.0 110.493 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.0 m -95.58 28.48 2.97 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.044 0.938 . . . . 0.0 113.215 -169.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.35 -19.32 59.67 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.575 -0.703 . . . . 0.0 112.762 -176.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.4 -16.31 3.5 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 -170.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -166.53 159.89 14.78 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.438 2.295 . . . . 0.0 104.853 -173.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.1 mmt -92.18 144.42 25.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.362 0.983 . . . . 0.0 108.75 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -141.21 156.86 45.86 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.27 0.628 . . . . 0.0 110.753 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.48 142.96 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.897 1.679 . . . . 0.0 107.812 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.92 136.25 37.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 169.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.04 152.42 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 123.346 0.658 . . . . 0.0 109.919 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -128.34 141.06 51.54 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 124.641 1.177 . . . . 0.0 107.917 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -73.62 124.91 26.84 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 122.827 0.451 . . . . 0.0 110.778 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.8 mt -82.45 -24.27 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 174.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.17 -42.32 87.7 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.214 0.911 . . . . 0.0 112.634 -176.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.1 -29.57 0.05 OUTLIER Glycine 0 CA--C 1.527 0.802 0 CA-C-N 117.683 0.741 . . . . 0.0 114.161 174.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -84.71 38.35 0.69 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.99 1.395 . . . . 0.0 111.057 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -21.59 64.15 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.121 1.369 . . . . 0.0 111.922 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -63.77 -11.6 28.03 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.5 1.52 . . . . 0.0 113.083 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -135.45 164.14 28.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.669 1.188 . . . . 0.0 110.146 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 t -136.41 152.83 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 125.268 1.427 . . . . 0.0 107.473 -170.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -139.51 179.88 6.3 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.386 1.874 . . . . 0.0 108.977 -169.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 m -127.79 135.32 49.93 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 170.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.66 145.83 49.44 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -72.26 137.28 46.67 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.26 -26.64 66.62 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.754 0.422 . . . . 0.0 109.933 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -59.74 -14.39 14.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.881 1.672 . . . . 0.0 113.601 172.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 14.17 9.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.261 1.424 . . . . 0.0 109.581 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -115.73 149.08 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 120.256 -1.527 . . . . 0.0 108.507 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -133.53 133.4 42.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 169.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.84 25.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.879 0.472 . . . . 0.0 110.311 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.51 132.51 70.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.805 1.242 . . . . 0.0 107.693 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t70 50.43 38.63 18.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.84 1.656 . . . . 0.0 113.833 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 m -92.54 175.27 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 123.997 0.919 . . . . 0.0 111.007 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.16 163.63 24.43 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 169.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -62.15 -38.69 89.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.428 1.091 . . . . 0.0 110.878 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.77 -32.7 67.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.659 0.663 . . . . 0.0 110.725 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 m -72.64 -46.64 53.02 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -59.4 -39.37 83.18 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 119.109 0.868 . . . . 0.0 110.598 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.76 -41.01 99.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.931 0.893 . . . . 0.0 111.153 175.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.78 94.88 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.309 0.959 . . . . 0.0 111.015 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.66 -53.57 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.82 92.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 118.246 0.475 . . . . 0.0 110.365 -170.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.46 -36.41 83.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.514 1.126 . . . . 0.0 111.519 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -65.85 -43.69 87.73 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 122.452 0.301 . . . . 0.0 110.674 172.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.84 -33.11 75.09 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.655 -0.653 . . . . 0.0 110.968 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -66.96 -43.19 83.75 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 119.245 0.93 . . . . 0.0 109.967 173.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.93 -40.59 93.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.061 1.3 . . . . 0.0 111.622 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.22 -50.72 72.55 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.608 0.763 . . . . 0.0 109.464 174.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.35 -22.27 66.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.015 0.526 . . . . 0.0 112.378 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -12.12 60.98 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.213 1.005 . . . . 0.0 110.859 175.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 76.38 33.93 46.96 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.975 -174.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 57.6 -176.63 0.07 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.811 2.044 . . . . 0.0 112.778 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -129.78 -41.48 1.32 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.31 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 15.3 p90 . . . . . 0 C--O 1.25 1.097 0 CA-C-N 119.393 0.997 . . . . 0.0 109.563 170.845 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.56 150.66 26.7 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 125.126 1.37 . . . . 0.0 108.397 174.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -73.1 14.63 0.28 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.513 1.125 . . . . 0.0 113.667 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 p -72.27 -15.4 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 C-N-CA 125.838 1.655 . . . . 0.0 111.48 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -57.73 144.95 36.25 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.01 0.924 . . . . 0.0 112.307 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -50.97 14.77 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 168.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -164.96 162.33 20.51 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 128.192 2.597 . . . . 0.0 105.414 170.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -55.23 -26.07 37.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.305 0.957 . . . . 0.0 111.984 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 m -51.79 -32.75 32.53 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.221 1.008 . . . . 0.0 112.135 172.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -64.3 -49.78 70.44 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.19 1.359 . . . . 0.0 109.87 177.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -65.05 -36.75 85.36 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 119.125 -0.464 . . . . 0.0 110.637 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -64.42 -37.7 88.45 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.756 0.707 . . . . 0.0 111.434 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -73.09 -36.88 66.87 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 120.357 -1.465 . . . . 0.0 110.938 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt -56.2 -48.95 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 119.346 0.976 . . . . 0.0 108.745 169.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.78 -32.0 67.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.844 1.257 . . . . 0.0 112.033 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.5 p -106.61 -3.3 20.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.708 0.803 . . . . 0.0 113.096 -171.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -136.45 -22.43 1.3 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.1 -38.45 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.329 0.968 . . . . 0.0 110.308 -169.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.54 12.85 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-N 119.156 0.889 . . . . 0.0 112.151 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -56.33 -33.85 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.751 0.82 . . . . 0.0 111.969 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -86.67 -12.07 49.47 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.849 0.86 . . . . 0.0 112.138 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.73 161.77 28.23 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.604 -0.685 . . . . 0.0 111.837 -173.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -149.77 -26.24 0.26 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.223 1.009 . . . . 0.0 112.196 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -147.05 170.75 16.5 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.086 1.355 . . . . 0.0 107.554 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -56.08 -29.37 60.47 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.522 1.529 . . . . 0.0 114.202 -171.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.62 -50.65 49.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -70.5 -32.14 69.52 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.602 -0.686 . . . . 0.0 111.085 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -57.61 8.96 Favored 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 124.832 1.253 . . . . 0.0 107.75 173.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.11 -29.16 61.7 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.961 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.7 mmt -64.18 -40.01 95.2 Favored 'General case' 0 CA--C 1.527 0.079 0 CA-C-N 119.742 1.156 . . . . 0.0 110.896 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.9 -50.49 63.47 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.208 0.913 . . . . 0.0 110.957 171.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -57.8 -46.52 84.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.295 0.638 . . . . 0.0 111.023 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -67.02 -47.63 70.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.335 1.454 . . . . 0.0 110.431 -173.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -65.87 -39.45 90.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.064 0.847 . . . . 0.0 110.545 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.31 -52.18 66.66 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.465 0.706 . . . . 0.0 110.344 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.57 -44.8 77.35 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.911 -177.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.09 -33.25 71.83 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.212 0.605 . . . . 0.0 111.989 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.76 -25.17 48.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.4 m -97.46 -46.7 5.96 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.126 -0.359 . . . . 0.0 111.745 -169.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.6 mt -66.23 121.27 14.84 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.37 1.068 . . . . 0.0 108.464 -172.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -85.93 49.24 1.74 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.235 1.014 . . . . 0.0 109.92 -178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CG ' ' HA2' ' A' ' 67' ' ' GLY . 23.9 p90 -64.25 163.38 25.31 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 123.583 0.753 . . . . 0.0 111.28 176.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.68 143.95 21.32 Favored 'Cis proline' 0 C--N 1.351 0.679 0 CA-C-N 120.067 1.06 . . . . 0.0 112.026 -10.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -145.43 158.23 43.87 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.438 0.563 . . . . 0.0 109.81 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 ttt -86.85 142.64 27.92 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.426 -0.796 . . . . 0.0 108.999 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.88 172.28 31.92 Favored Glycine 0 C--N 1.332 0.36 0 O-C-N 121.593 -0.692 . . . . 0.0 111.765 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -98.96 125.04 44.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 169.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -81.74 101.83 10.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 169.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -89.21 62.08 6.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.612 1.965 . . . . 0.0 107.154 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 tttt -58.41 126.04 25.88 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -87.75 2.82 50.21 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -177.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 m -139.99 99.48 3.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 120.048 1.294 . . . . 0.0 111.277 -169.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.14 109.01 2.87 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 169.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? 62.65 -35.28 0.12 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.537 2.335 . . . . 0.0 113.865 -169.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 p -144.2 167.6 22.04 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.117 2.167 . . . . 0.0 108.285 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 m -71.88 13.42 0.29 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.139 1.776 . . . . 0.0 113.228 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.3 p -72.79 144.24 47.61 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.122 1.769 . . . . 0.0 110.037 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.82 139.5 20.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 169.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -131.93 150.07 52.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -121.56 127.28 50.79 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.748 0.419 . . . . 0.0 110.139 -169.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -127.86 139.11 52.82 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 170.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -88.47 127.96 35.53 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.76 158.81 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 122.045 0.926 . . . . 0.0 110.905 -169.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.87 115.18 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 169.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -75.05 130.35 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 173.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -87.8 -24.77 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 42' ' ' PHE . . . 160.52 -179.97 35.68 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 92.0 mmm -60.43 149.87 32.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.89 166.36 10.23 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.205 171.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.18 153.46 9.35 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.782 2.322 . . . . 0.0 112.455 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -56.33 -30.92 63.21 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 123.266 0.627 . . . . 0.0 111.489 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.99 -31.43 72.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.618 0.767 . . . . 0.0 111.867 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.79 -47.71 16.19 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 171.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 73.4 m -71.71 9.97 0.77 Allowed 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.0 mt -78.95 -28.75 43.71 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.679 1.191 . . . . 0.0 109.657 169.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -86.49 -50.55 6.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 123.567 0.747 . . . . 0.0 109.815 -172.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -166.52 169.99 13.23 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.212 1.805 . . . . 0.0 107.255 -169.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.48 131.89 35.63 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 120.211 1.369 . . . . 0.0 111.391 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -140.45 160.26 40.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 124.363 1.065 . . . . 0.0 110.726 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.14 143.42 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 125.987 1.715 . . . . 0.0 107.948 -177.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -81.81 135.25 35.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 169.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 m -138.36 146.09 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 123.117 0.567 . . . . 0.0 110.211 -173.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -117.34 133.1 56.37 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 125.204 1.402 . . . . 0.0 107.465 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -83.37 90.94 7.24 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.711 0.804 . . . . 0.0 109.558 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.3 mt -51.06 115.84 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.049 1.34 . . . . 0.0 109.009 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.11 -28.33 3.73 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.988 1.28 . . . . 0.0 112.608 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.81 -32.12 41.81 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-N 117.902 0.851 . . . . 0.0 111.129 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -136.3 -51.78 0.71 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.854 1.261 . . . . 0.0 109.428 171.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 50.53 17.94 0.42 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.402 1.881 . . . . 0.0 114.023 -171.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -156.49 13.65 0.29 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.95 1.3 . . . . 0.0 111.19 -171.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -151.17 158.14 43.58 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.62 1.568 . . . . 0.0 107.7 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 56.5 t -134.93 148.3 29.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.963 0.905 . . . . 0.0 108.96 -169.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -131.14 178.5 6.65 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.829 2.452 . . . . 0.0 107.959 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 m -126.26 137.15 53.49 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.62 153.58 47.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.363 1.465 . . . . 0.0 107.499 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -70.95 139.38 50.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 105.129 -2.175 . . . . 0.0 105.129 169.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.39 -28.62 67.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.553 0.615 . . . . 0.0 109.438 169.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 m -57.61 -24.97 59.31 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.751 2.02 . . . . 0.0 113.675 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -108.21 13.22 25.99 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.049 1.34 . . . . 0.0 109.574 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -118.06 148.4 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 O-C-N 120.527 -1.358 . . . . 0.0 108.262 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.62 133.46 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 169.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.1 156.61 29.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.628 0.728 . . . . 0.0 110.477 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.0 mt -122.74 130.85 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t70 48.86 38.09 11.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.086 1.754 . . . . 0.0 113.486 173.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.481 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -94.6 172.61 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 123.286 0.634 . . . . 0.0 111.029 -175.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.57 156.68 39.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.576 176.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.79 -39.57 77.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.55 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -74.05 -38.02 64.11 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.112 0.869 . . . . 0.0 110.644 -173.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.481 HG21 HG21 ' A' ' 105' ' ' VAL . 33.9 m -59.11 -50.34 74.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.106 0.963 . . . . 0.0 109.449 170.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -64.52 -37.79 88.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.1 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.16 -42.34 93.81 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.927 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.07 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.644 1.111 . . . . 0.0 111.031 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.5 mt -66.75 -51.44 55.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 123.063 0.545 . . . . 0.0 109.538 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.66 91.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.933 0.333 . . . . 0.0 110.235 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.06 -41.45 99.46 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.097 0.959 . . . . 0.0 111.952 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.32 -46.01 89.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.59 -35.6 81.52 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.995 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -61.3 -56.2 23.17 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.974 1.261 . . . . 0.0 109.338 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -60.97 -40.13 92.22 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.848 0.859 . . . . 0.0 110.664 -174.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.91 -49.28 76.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 123.289 0.636 . . . . 0.0 110.601 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.37 66.61 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.275 0.63 . . . . 0.0 112.376 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -71.29 -12.34 61.39 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.171 0.896 . . . . 0.0 110.912 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.56 18.03 78.28 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -168.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.426 ' HB2' ' H ' ' A' ' 125' ' ' LYS 0.343 0.5 OUTLIER 32.63 -153.96 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 129.176 2.99 . . . . 0.0 115.739 -169.763 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.426 ' H ' ' HB2' ' A' ' 124' ' ' TYR . 24.9 mtpp -127.79 -31.68 2.41 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.064 0.945 . . . . 0.0 111.876 -169.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.248 1.006 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 169.744 . . . . . . . . 0 0 . 1 stop_ save_