data_2kp7_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 2kp7 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 CA--C 1.559 1.325 0 CA-C-O 121.793 0.806 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 16.9 m-30 -62.67 -34.64 77.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.033 1.333 . . . . 0.0 111.859 172.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -60.42 -54.61 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.037 0.535 . . . . 0.0 110.332 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -62.89 -35.0 78.6 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.701 0.626 . . . . 0.0 111.19 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -65.44 -46.66 79.05 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.141 0.276 . . . . 0.0 111.357 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.441 HD23 HD12 ' A' ' 73' ' ' LEU . 93.5 mt -66.02 -30.48 71.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.871 0.468 . . . . 0.0 111.237 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.2 m -71.75 -48.94 43.43 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.393 0.677 . . . . 0.0 110.529 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.9 -35.3 67.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.829 0.452 . . . . 0.0 111.367 -174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -69.25 -43.5 73.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.766 0.426 . . . . 0.0 110.442 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' NH1' ' HB2' ' A' ' 44' ' ' GLN . 43.1 ttt85 -66.11 -36.66 83.76 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.074 0.549 . . . . 0.0 111.139 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.16 -48.72 67.16 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.477 0.711 . . . . 0.0 110.215 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -58.92 -40.96 86.15 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.995 172.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -27.22 67.45 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.583 0.753 . . . . 0.0 112.173 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.18 -31.24 58.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.245 0.618 . . . . 0.0 110.479 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -84.64 -34.86 22.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.637 0.775 . . . . 0.0 111.484 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -92.72 -25.1 18.36 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.202 1.001 . . . . 0.0 111.483 -173.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.36 33.4 17.12 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.994 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -77.92 134.17 37.95 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -74.51 -14.73 60.85 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.457 0.703 . . . . 0.0 111.729 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.0 p -73.86 -8.4 55.92 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.713 0.805 . . . . 0.0 112.021 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 -51.82 -36.4 47.81 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.706 1.203 . . . . 0.0 112.259 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -73.57 -40.49 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.343 1.057 . . . . 0.0 111.469 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG21 HD21 ' A' ' 73' ' ' LEU . 9.4 p -73.99 -32.6 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.636 0.255 . . . . 0.0 110.403 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -69.72 -30.92 68.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 110.271 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.1 tp60 -68.05 -57.91 5.36 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.88 0.472 . . . . 0.0 111.074 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -62.41 -29.12 70.26 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.847 0.459 . . . . 0.0 111.752 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -49.75 50.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.647 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 57.2 tp -62.76 -42.1 99.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.318 0.647 . . . . 0.0 111.279 -177.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 31.7 mmm180 -67.64 -39.16 84.64 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.511 0.725 . . . . 0.0 110.166 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -59.55 -42.99 93.62 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.661 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.71 -38.77 77.06 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.585 0.754 . . . . 0.0 109.906 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.6 mt-30 -67.31 -29.69 69.33 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.387 0.675 . . . . 0.0 111.647 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -94.22 -11.48 30.2 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.481 0.313 . . . . 0.0 111.432 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -94.39 119.44 66.44 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.164 0.585 . . . . 0.0 109.647 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.96 21.0 0.99 Allowed 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 123.235 2.624 . . . . 0.0 114.233 -173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD11 HD22 ' A' ' 57' ' ' LEU . 2.7 tm? -114.86 123.37 32.09 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.38 100.03 1.19 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.386 2.058 . . . . 0.0 111.561 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD22 HD11 ' A' ' 55' ' ' LEU . 54.8 mt -63.15 111.53 2.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.09 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -96.48 -27.11 15.04 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.428 0.691 . . . . 0.0 109.906 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -126.77 156.9 40.47 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.295 1.038 . . . . 0.0 110.315 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.85 -22.02 73.57 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.299 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.11 -40.38 89.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.054 0.941 . . . . 0.0 110.506 172.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.62 -26.8 58.11 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.018 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -18.42 45.42 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.161 0.585 . . . . 0.0 111.287 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -65.18 -37.03 86.08 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.278 1.031 . . . . 0.0 111.446 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 pt -64.55 -25.97 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.254 0.621 . . . . 0.0 111.202 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt -87.72 103.08 15.27 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.214 1.006 . . . . 0.0 109.361 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.54 -19.6 63.7 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.182 0.993 . . . . 0.0 111.373 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.05 -36.66 82.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.621 0.768 . . . . 0.0 110.391 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -68.24 -66.56 0.55 Allowed 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.548 0.739 . . . . 0.0 109.322 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.44 155.42 31.89 Favored Glycine 0 C--N 1.343 0.962 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -171.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -60.61 -34.46 74.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -62.27 -46.11 90.26 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.152 0.581 . . . . 0.0 109.569 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.441 HD12 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -64.65 -49.91 69.16 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.386 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 35.4 m -58.41 -39.76 80.58 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.195 0.998 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.47 -45.97 81.62 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.769 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.504 ' HA ' ' HE3' ' A' ' 76' ' ' MET . 5.0 mmt -61.32 -48.32 81.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.145 0.578 . . . . 0.0 110.744 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.32 -45.4 80.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.093 0.957 . . . . 0.0 112.305 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.58 -37.83 70.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.522 0.514 . . . . 0.0 110.834 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 23.1 mm-40 -62.74 -43.19 99.45 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.164 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -66.17 -42.65 88.65 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 123.144 0.577 . . . . 0.0 110.641 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.5 tm? -56.33 -42.85 78.33 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.39 -48.47 81.62 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.724 -1.126 . . . . 0.0 111.336 174.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 97.6 mt-30 -65.52 -41.5 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.103 0.561 . . . . 0.0 110.968 -174.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.52 -50.77 70.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.93 0.892 . . . . 0.0 110.564 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 58.5 mt -64.72 -32.28 73.89 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.951 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 C-N-CA 123.66 0.784 . . . . 0.0 112.016 -179.327 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.887 0.375 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -69.37 -36.51 76.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.496 0.718 . . . . 0.0 111.685 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.75 -52.12 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.732 0.413 . . . . 0.0 110.537 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -59.06 -40.01 83.84 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 123.546 0.528 . . . . 0.0 111.059 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -63.66 -49.32 73.65 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.524 0.515 . . . . 0.0 111.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.51 -28.98 69.58 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.717 0.235 . . . . 0.0 111.386 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 m -69.47 -52.48 26.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.508 0.723 . . . . 0.0 110.866 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.79 -41.41 65.02 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -65.87 -34.62 78.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.116 0.566 . . . . 0.0 110.431 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -61.21 -43.59 98.63 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.503 0.721 . . . . 0.0 110.753 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.86 -30.31 61.3 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.223 1.009 . . . . 0.0 111.264 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.37 -36.29 58.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.161 0.984 . . . . 0.0 109.393 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -75.46 -22.09 57.58 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.615 0.766 . . . . 0.0 110.872 175.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.34 64.1 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 170.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t -69.86 -32.79 71.36 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.137 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.577 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -92.97 -5.11 51.43 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 0.0 110.817 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.15 28.89 74.03 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 113.907 0.323 . . . . 0.0 113.907 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.577 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 30.3 mmm180 -78.01 150.67 33.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.173 0.989 . . . . 0.0 111.723 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -71.05 -19.93 62.43 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 p -71.07 -13.1 61.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.141 0.576 . . . . 0.0 112.498 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -54.32 -40.43 67.97 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.033 0.379 . . . . 0.0 110.63 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -63.44 -45.7 89.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.876 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG12 HD21 ' A' ' 73' ' ' LEU . 9.7 p -73.79 -32.11 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.075 0.15 . . . . 0.0 111.075 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -71.09 -32.46 69.1 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.933 0.493 . . . . 0.0 110.293 173.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.22 -55.0 13.83 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.644 0.778 . . . . 0.0 110.481 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.69 -32.11 71.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.009 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -45.51 80.92 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.194 0.598 . . . . 0.0 110.362 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 62.6 tp -60.34 -53.92 51.81 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.082 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.78 -30.45 69.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 111.127 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t -68.19 -38.1 81.64 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.131 175.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 57' ' ' LEU . 5.4 tt -67.77 -39.31 84.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.497 0.719 . . . . 0.0 109.238 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 29.3 mm-40 -61.37 -42.8 99.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.524 0.73 . . . . 0.0 111.349 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -81.95 -22.6 36.6 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.639 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.3 t80 -72.48 128.03 89.19 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.503 0.721 . . . . 0.0 110.526 -171.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -72.41 -15.13 28.06 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.638 2.225 . . . . 0.0 113.292 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 24.0 tp -92.98 132.52 30.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 123.253 0.621 . . . . 0.0 109.345 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.22 99.78 1.2 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.364 2.042 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.436 HD11 ' HG ' ' A' ' 50' ' ' LEU . 92.4 mt -66.6 93.03 0.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.077 -175.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.63 -42.81 40.84 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.826 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.0 m -120.79 155.64 33.58 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.397 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.724 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -68.88 -18.56 72.64 Favored Glycine 0 C--N 1.346 1.084 0 O-C-N 123.349 0.406 . . . . 0.0 112.367 172.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.04 -43.8 74.08 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.14 0.976 . . . . 0.0 110.252 165.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -78.62 -29.97 46.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.923 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HB1' ' HA2' ' A' ' 60' ' ' GLY . . . -80.67 -23.54 39.55 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.337 0.655 . . . . 0.0 112.581 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 38.6 ttpt -70.88 -22.34 62.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.24 0.616 . . . . 0.0 112.022 -173.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -66.57 -20.06 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 122.939 0.495 . . . . 0.0 111.421 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.16 131.52 37.34 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.289 0.635 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -78.83 -20.09 50.49 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.672 0.789 . . . . 0.0 111.332 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.64 -35.28 79.1 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.239 0.542 . . . . 0.0 110.065 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.421 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 15.8 m-85 -75.54 -76.53 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.5 174.55 40.17 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.385 -172.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.92 -57.4 12.79 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.928 0.891 . . . . 0.0 112.728 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -71.95 -28.92 63.77 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.593 0.757 . . . . 0.0 112.479 -172.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.472 HD21 HG12 ' A' ' 42' ' ' VAL . 2.0 tm? -62.29 -53.39 55.82 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.476 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 82.5 m -68.11 -25.19 65.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.484 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.0 mmm180 -60.35 -51.06 71.11 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.654 0.382 . . . . 0.0 110.264 169.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.42 -43.04 86.82 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.506 0.67 . . . . 0.0 109.991 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.68 -50.53 64.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.315 1.446 . . . . 0.0 111.796 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.724 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 26.1 t70 -74.93 -42.5 57.61 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.152 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.1 mm-40 -59.68 -41.0 89.69 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -56.98 -52.06 66.73 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.034 0.534 . . . . 0.0 111.15 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -54.91 -41.34 70.83 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.361 0.665 . . . . 0.0 111.413 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -67.26 -38.65 85.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.619 1.167 . . . . 0.0 110.247 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 48.7 mt-30 -73.85 -34.96 64.73 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.454 0.702 . . . . 0.0 109.76 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -65.19 -42.61 93.42 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.125 0.97 . . . . 0.0 110.452 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -78.35 -44.95 23.78 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.22 0.608 . . . . 0.0 111.446 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.258 0 C-N-CA 123.085 0.554 . . . . 0.0 111.374 -175.346 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 CA--C 1.555 1.168 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.472 0.578 . . . . 0.0 111.348 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.1 -49.88 80.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.1 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -73.94 -32.51 63.53 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.865 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.435 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 25.0 m0 -67.58 -43.8 79.68 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.684 0.615 . . . . 0.0 110.463 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.18 -30.56 71.48 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.421 0.288 . . . . 0.0 111.454 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.9 m -75.45 -47.32 27.77 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.77 0.428 . . . . 0.0 111.278 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.5 pt-20 -73.67 -31.31 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.042 0.537 . . . . 0.0 111.144 -174.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -79.22 -29.79 42.93 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.813 0.445 . . . . 0.0 110.525 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.86 -40.99 90.47 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.024 0.53 . . . . 0.0 109.806 166.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.51 -40.01 81.01 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.064 0.945 . . . . 0.0 110.398 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.573 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mm-40 -60.94 -37.81 83.63 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.263 1.025 . . . . 0.0 110.984 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -71.13 -36.63 72.17 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.444 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.35 61.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.366 0.667 . . . . 0.0 111.393 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -84.54 -42.8 15.13 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.889 0.876 . . . . 0.0 110.817 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -105.1 7.49 33.86 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.477 0.711 . . . . 0.0 112.463 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.53 30.13 75.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 123.539 0.524 . . . . 0.0 113.222 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.573 ' NH1' ' HB3' ' A' ' 31' ' ' GLU . 58.7 mtt180 -72.92 134.84 44.94 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.335 0.654 . . . . 0.0 110.324 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -64.19 -20.38 65.98 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.952 0.901 . . . . 0.0 111.273 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.9 p -64.17 -5.02 4.15 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.722 1.209 . . . . 0.0 113.444 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -49.93 -45.13 50.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.948 0.899 . . . . 0.0 111.391 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -72.11 -39.43 68.89 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.656 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.39 -31.47 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 117.597 0.181 . . . . 0.0 110.741 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.26 -31.2 62.46 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.541 0.336 . . . . 0.0 110.379 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -69.87 -49.79 48.81 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.477 0.485 . . . . 0.0 110.67 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.07 -30.47 68.8 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.228 0.33 . . . . 0.0 110.839 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.35 -45.21 60.87 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.254 0.621 . . . . 0.0 110.457 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 tp -63.78 -56.96 11.6 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.137 0.575 . . . . 0.0 110.175 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.54 -38.14 77.16 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.168 0.987 . . . . 0.0 111.224 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.1 t -59.04 -49.14 79.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.83 -35.64 80.59 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.349 1.059 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 21.9 mm-40 -67.77 -34.69 77.31 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.241 0.616 . . . . 0.0 111.932 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -94.21 -14.44 25.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.365 0.266 . . . . 0.0 111.299 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.6 t80 -77.31 119.72 78.6 Favored Pre-proline 0 N--CA 1.476 0.843 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -173.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.36 -2.3 12.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 122.941 2.428 . . . . 0.0 113.384 -172.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.17 142.81 33.9 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.37 -37.3 24.07 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 123.008 2.472 . . . . 0.0 113.052 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.1 mt 54.97 70.4 0.63 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.652 1.181 . . . . 0.0 110.597 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -84.94 -33.39 22.68 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.174 0.511 . . . . 0.0 110.772 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -103.41 152.24 21.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.62 -23.11 72.07 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -63.07 -37.82 88.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.523 1.129 . . . . 0.0 110.434 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.48 ' O ' HG12 ' A' ' 65' ' ' ILE . 49.5 mt-10 -72.75 -39.07 67.13 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.135 0.574 . . . . 0.0 110.673 175.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.74 -14.99 63.38 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.486 0.714 . . . . 0.0 111.702 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.567 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -69.33 -29.94 67.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.185 0.994 . . . . 0.0 112.059 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.0 pt -70.17 -8.53 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.72 114.36 28.54 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 123.184 0.594 . . . . 0.0 109.831 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -72.44 -17.5 61.78 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.822 0.849 . . . . 0.0 110.727 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -59.36 -33.05 70.69 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.478 0.711 . . . . 0.0 111.463 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.43 -70.8 0.3 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 172.02 18.29 Favored Glycine 0 N--CA 1.467 0.711 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.202 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.567 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 21.0 t70 -62.23 -60.76 3.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.921 0.488 . . . . 0.0 111.823 -175.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' A' ' 76' ' ' MET . 96.4 mtt180 -65.39 -33.27 75.56 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.835 0.854 . . . . 0.0 111.228 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.4 HD12 HD13 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -63.13 -49.91 72.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.142 0.977 . . . . 0.0 109.607 179.468 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 76.2 m -61.39 -32.19 72.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -68.62 -40.81 80.18 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.757 0.661 . . . . 0.0 110.762 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 87.8 mtp -58.96 -48.21 82.33 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.702 0.401 . . . . 0.0 110.393 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 HD13 HD12 ' A' ' 73' ' ' LEU . 10.1 mp -68.36 -38.33 81.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.591 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.04 -49.89 58.64 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.224 0.61 . . . . 0.0 111.143 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.59 -50.83 69.72 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 124.086 0.867 . . . . 0.0 110.252 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -55.82 -45.54 78.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.182 0.593 . . . . 0.0 111.392 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.9 tm? -56.84 -49.0 76.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.549 0.74 . . . . 0.0 109.741 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.21 -41.28 92.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.43 1.092 . . . . 0.0 111.543 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.89 -29.18 58.37 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.648 0.779 . . . . 0.0 110.217 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.42 -33.96 67.5 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.996 0.918 . . . . 0.0 110.352 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 86.6 mt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.059 0.544 . . . . 0.0 110.085 176.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 123.348 0.659 . . . . 0.0 111.357 -176.372 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.66 -24.3 58.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 m -68.2 -42.3 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.777 0.717 . . . . 0.0 110.071 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -75.67 -34.6 60.47 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.045 0.538 . . . . 0.0 110.398 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -71.45 -42.88 67.63 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.683 0.614 . . . . 0.0 111.497 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.4 mt -68.27 -34.79 76.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 117.862 0.301 . . . . 0.0 110.809 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.5 m -63.07 -49.66 73.64 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.444 0.465 . . . . 0.0 111.196 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 13.0 pt-20 -69.34 -47.45 64.33 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.839 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -62.59 -36.74 83.68 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.963 0.505 . . . . 0.0 111.004 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -56.14 -56.21 23.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.889 0.743 . . . . 0.0 110.617 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -74.95 -28.69 60.69 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.468 -171.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 35.4 mm-40 -68.88 -49.71 55.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.339 0.656 . . . . 0.0 109.316 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -66.3 -28.75 68.93 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.398 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.72 72.79 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.582 0.753 . . . . 0.0 110.282 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -76.22 -18.51 59.01 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.269 0.628 . . . . 0.0 110.808 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -86.6 -24.66 25.3 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.429 0.692 . . . . 0.0 110.601 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.77 65.15 1.63 Allowed Glycine 0 C--N 1.353 1.475 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 15.7 mtp180 -130.94 139.79 50.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.034 0.934 . . . . 0.0 110.205 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -71.46 -20.03 62.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.074 0.549 . . . . 0.0 111.447 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.426 ' O ' HG12 ' A' ' 42' ' ' VAL . 17.4 p -68.0 -17.17 64.34 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.11 0.564 . . . . 0.0 112.401 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -61.47 -29.65 70.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.134 0.425 . . . . 0.0 109.99 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -72.68 -41.55 65.23 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.313 1.008 . . . . 0.0 110.923 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 39' ' ' THR . 5.8 p -71.63 -35.09 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 117.884 0.311 . . . . 0.0 110.475 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -73.07 -30.52 63.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.276 0.63 . . . . 0.0 110.243 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 43.6 tt0 -71.52 -53.13 14.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.696 0.798 . . . . 0.0 111.304 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.68 -36.95 85.12 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.503 0.502 . . . . 0.0 110.975 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.15 96.25 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.824 0.703 . . . . 0.0 109.745 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 65.6 tp -59.31 -50.47 73.88 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.805 . . . . 0.0 111.001 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 40.3 mmm-85 -65.12 -37.09 86.35 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.82 0.448 . . . . 0.0 110.687 -175.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.2 t -67.36 -34.88 78.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.162 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.14 -38.19 66.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.204 1.002 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 9.7 mm100 -75.9 -27.08 57.53 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.103 0.561 . . . . 0.0 111.634 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -86.8 -20.44 27.57 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -76.83 120.43 81.66 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.19 30.14 0.47 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 123.229 2.619 . . . . 0.0 113.305 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 HD12 HD22 ' A' ' 57' ' ' LEU . 1.9 tm? -130.01 113.94 17.47 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.4 97.17 0.25 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.117 2.544 . . . . 0.0 112.222 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 63' ' ' ALA . 68.5 mt -74.91 100.91 4.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.738 0.815 . . . . 0.0 109.569 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -82.74 -22.33 34.44 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.001 0.92 . . . . 0.0 110.681 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.499 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.5 t -112.34 132.74 54.83 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.805 0.842 . . . . 0.0 109.35 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.62 -21.68 74.81 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.535 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.39 -39.93 81.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.611 1.165 . . . . 0.0 110.38 171.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.499 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 24.1 mm-40 -74.68 -19.88 60.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.525 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -80.57 -21.53 41.59 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.601 0.76 . . . . 0.0 111.455 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 38.2 ttpt -69.37 -24.12 63.84 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.618 0.767 . . . . 0.0 112.102 -175.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.1 pt -64.85 -21.3 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.347 . . . . 0.0 111.435 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mp -93.39 119.36 32.41 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.81 -15.15 63.39 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.76 0.824 . . . . 0.0 111.716 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -67.19 -23.66 65.78 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.713 0.805 . . . . 0.0 111.508 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -87.09 -74.09 0.45 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 167.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.55 178.06 35.43 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.328 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.61 -50.26 59.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.63 0.772 . . . . 0.0 112.424 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -63.93 -43.74 94.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.607 0.763 . . . . 0.0 110.897 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 77' ' ' LEU . 1.4 tm? -61.24 -49.05 78.68 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.155 0.909 . . . . 0.0 109.027 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 9.3 t -54.89 -41.85 71.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.425 1.09 . . . . 0.0 111.699 178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -71.06 -35.1 71.79 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.828 0.705 . . . . 0.0 111.045 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.7 mmm -60.74 -47.75 84.91 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.485 0.314 . . . . 0.0 110.298 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 73' ' ' LEU . 8.0 mp -66.1 -34.45 78.08 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.973 0.909 . . . . 0.0 111.266 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.48 -48.38 70.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.872 0.869 . . . . 0.0 110.388 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.7 mm-40 -59.38 -49.52 77.48 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.236 1.014 . . . . 0.0 110.703 177.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -61.71 -45.07 95.53 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.739 0.816 . . . . 0.0 112.072 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.73 -41.3 95.04 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -68.09 -34.1 75.77 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.031 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 55.9 mt-30 -70.13 -39.71 75.26 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -62.82 -45.91 90.43 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.178 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -77.65 -56.95 4.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.204 0.202 . . . . 0.0 111.506 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 123.089 0.556 . . . . 0.0 112.06 -175.454 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 121.028 0.442 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.495 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 36.7 m-85 -63.02 -31.81 73.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.723 1.209 . . . . 0.0 110.394 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.2 t -66.68 -51.92 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.361 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -64.49 -34.18 77.62 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.527 -0.273 . . . . 0.0 111.19 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.78 -46.54 71.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.949 0.5 . . . . 0.0 110.679 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 73' ' ' LEU . 80.8 mt -69.45 -30.98 69.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -71.54 -46.48 59.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.792 0.437 . . . . 0.0 110.403 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.74 -36.58 67.76 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.671 0.388 . . . . 0.0 111.292 -174.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -65.17 -45.82 83.37 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.658 0.383 . . . . 0.0 110.119 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -59.05 -39.51 82.24 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.104 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.65 -42.54 61.24 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.571 0.748 . . . . 0.0 111.273 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.5 -43.51 89.9 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.014 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.83 -31.31 72.2 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.095 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -67.77 -39.51 84.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.28 0.632 . . . . 0.0 110.701 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -82.53 -24.3 34.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.151 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -99.64 -11.62 20.77 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.182 0.593 . . . . 0.0 111.473 -174.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.88 16.04 60.3 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -83.77 126.1 32.58 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.613 1.165 . . . . 0.0 109.947 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -62.03 -20.23 63.72 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.806 1.243 . . . . 0.0 113.619 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -66.7 -15.51 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 27.9 ptt180 -54.86 -31.6 59.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.117 0.567 . . . . 0.0 111.761 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -70.2 -43.46 70.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.487 0.715 . . . . 0.0 111.145 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.13 -36.72 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.46 -29.77 68.48 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.392 0.677 . . . . 0.0 110.623 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.39 -53.9 12.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.417 0.687 . . . . 0.0 110.874 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -67.17 -29.32 68.98 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.429 0.456 . . . . 0.0 110.959 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.31 75.0 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.708 0.803 . . . . 0.0 110.313 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.95 -41.96 99.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.073 0.949 . . . . 0.0 111.015 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -65.13 -47.35 77.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.669 0.788 . . . . 0.0 110.033 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 77.4 p -67.44 -30.77 70.59 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.215 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.78 -48.37 63.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.44 0.696 . . . . 0.0 109.671 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.6 -43.08 97.84 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.77 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.58 -24.04 49.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.514 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.1 t80 -71.81 122.48 87.37 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 122.867 0.467 . . . . 0.0 110.358 -174.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -91.15 19.15 1.15 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.568 2.845 . . . . 0.0 113.675 -170.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -100.14 154.32 37.28 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 123.23 0.612 . . . . 0.0 109.789 172.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -49.74 -50.58 12.8 Favored 'Trans proline' 0 C--N 1.389 2.685 0 C-N-CA 123.863 3.042 . . . . 0.0 114.44 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt 59.5 27.85 17.1 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.025 0.93 . . . . 0.0 111.472 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -77.75 -2.54 36.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.934 0.894 . . . . 0.0 111.85 -174.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -124.36 146.04 49.08 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.162 0.985 . . . . 0.0 108.555 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -69.44 -18.45 73.55 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 112.323 -0.311 . . . . 0.0 112.323 175.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -63.98 -33.09 74.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 111.177 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.9 -17.82 61.47 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.311 0.645 . . . . 0.0 111.537 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.27 -17.36 60.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.454 0.702 . . . . 0.0 111.415 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 58.2 tptt -62.48 -41.56 98.87 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.469 1.108 . . . . 0.0 112.249 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.5 pt -63.74 -23.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.856 0.462 . . . . 0.0 111.69 -174.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.32 110.32 21.61 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -69.39 -17.08 63.63 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.525 0.73 . . . . 0.0 111.104 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -55.72 -30.46 61.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.214 1.006 . . . . 0.0 111.357 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -79.38 -57.86 3.49 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 172.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.46 172.52 38.21 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.027 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.77 -52.1 66.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.483 0.713 . . . . 0.0 112.05 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.72 -46.73 81.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.303 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 25' ' ' LEU . 6.6 tt -68.64 -42.27 78.22 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 37.5 t -58.44 -35.29 71.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.825 0.45 . . . . 0.0 110.342 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -70.23 -41.68 73.27 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.762 0.664 . . . . 0.0 110.631 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 83.7 mmm -60.34 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.754 0.788 . . . . 0.0 109.554 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.495 ' HG ' ' HD2' ' A' ' 21' ' ' PHE . 10.5 tp -73.76 -32.97 64.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 113.793 -1.549 . . . . 0.0 110.757 -173.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.543 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 37.1 t70 -70.07 -39.4 75.64 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.57 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.0 mt-10 -65.59 -44.68 85.88 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.583 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 76' ' ' MET . 31.3 mmmt -61.85 -46.71 88.26 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.432 0.457 . . . . 0.0 111.042 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.29 -41.95 90.16 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.16 -36.6 84.58 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.299 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.6 mt-30 -70.24 -35.83 74.1 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.721 0.408 . . . . 0.0 110.138 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.59 -36.48 82.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.727 0.411 . . . . 0.0 111.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.47 -33.77 60.85 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.73 0.412 . . . . 0.0 110.462 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 124.16 0.984 . . . . 0.0 110.691 -178.62 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -52.67 -36.18 56.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.207 1.003 . . . . 0.0 112.444 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.21 -43.88 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 O-C-N 123.517 0.511 . . . . 0.0 111.441 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.17 -30.47 62.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.59 -47.18 70.46 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.17 0.988 . . . . 0.0 110.891 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 59.0 mt -65.24 -30.28 71.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.8 0.44 . . . . 0.0 111.246 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 m -71.95 -52.76 15.6 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.413 0.446 . . . . 0.0 110.699 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.29 -44.87 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.673 0.608 . . . . 0.0 110.782 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.454 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 36.0 m0 -73.91 -29.14 61.89 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.364 0.666 . . . . 0.0 111.776 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -58.45 -50.15 74.74 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -73.24 -32.73 64.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.458 0.703 . . . . 0.0 110.863 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -66.56 -37.99 86.13 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.37 0.668 . . . . 0.0 110.155 173.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.41 75.71 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.68 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . . . -63.88 -52.21 61.01 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.666 0.604 . . . . 0.0 111.575 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -81.19 -44.75 17.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.55 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.93 67.51 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.716 0.407 . . . . 0.0 110.637 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.26 13.1 34.22 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 113.881 0.312 . . . . 0.0 113.881 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -67.87 132.39 47.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.944 0.498 . . . . 0.0 109.955 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -74.12 -4.26 34.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.778 0.831 . . . . 0.0 111.521 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -74.72 -0.6 18.62 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.187 0.995 . . . . 0.0 112.247 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.528 ' HD3' ' HB3' ' A' ' 33' ' ' ALA . 19.1 tpt180 -51.13 -41.91 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.994 0.918 . . . . 0.0 110.64 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -74.23 -42.26 60.01 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.486 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -75.1 -35.53 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 O-C-N 123.127 0.267 . . . . 0.0 110.743 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.39 -33.61 74.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.956 0.503 . . . . 0.0 110.358 174.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.19 -51.03 61.68 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.349 0.66 . . . . 0.0 111.1 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -74.44 -30.59 61.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.051 0.54 . . . . 0.0 111.546 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.07 68.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.207 0.603 . . . . 0.0 110.012 175.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 60.7 tp -60.95 -45.78 93.35 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.773 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -62.03 -42.12 98.83 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.728 0.643 . . . . 0.0 110.364 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 21.9 t -62.44 -39.65 94.03 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.507 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 tp -73.56 -36.84 65.68 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.803 0.841 . . . . 0.0 111.627 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.503 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.7 mt-30 -66.98 -35.43 79.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.448 0.699 . . . . 0.0 111.347 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.5 -22.73 24.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.357 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.2 t80 -74.89 116.44 53.94 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 122.619 0.368 . . . . 0.0 110.073 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -33.07 85.04 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 123.409 2.739 . . . . 0.0 113.949 -172.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.9 125.08 88.64 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 122.655 0.382 . . . . 0.0 110.339 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -72.86 90.7 0.83 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.926 2.418 . . . . 0.0 110.693 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 63' ' ' ALA . 47.3 mt -70.4 95.52 1.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.926 0.891 . . . . 0.0 110.036 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -101.43 32.66 3.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.033 0.933 . . . . 0.0 110.673 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.506 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.1 t -158.67 146.49 18.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.215 1.406 . . . . 0.0 107.776 168.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.49 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -73.94 -22.97 77.38 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.42 -43.64 75.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.387 1.075 . . . . 0.0 110.352 165.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 43.3 mt-10 -72.98 -39.09 66.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.824 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.614 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -69.41 -17.08 63.62 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.366 0.666 . . . . 0.0 112.109 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 36.3 ttpt -76.12 -14.54 60.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.529 0.732 . . . . 0.0 112.252 -176.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.8 pt -67.56 -25.83 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-O 120.692 0.282 . . . . 0.0 110.688 176.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.8 114.81 24.77 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 109.015 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -73.45 -8.46 55.98 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.276 0.63 . . . . 0.0 112.594 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -64.35 -29.04 70.12 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.086 0.554 . . . . 0.0 111.082 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.26 -80.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.179 0.991 . . . . 0.0 109.425 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.89 13.63 Favored Glycine 0 C--N 1.343 0.933 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.0 -54.01 47.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.927 0.891 . . . . 0.0 111.227 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.23 -34.02 72.35 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.441 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.42 HD11 HD12 ' A' ' 77' ' ' LEU . 1.3 tm? -62.37 -53.08 60.19 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 0.0 109.248 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 86.4 m -68.38 -26.75 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.825 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -64.17 -51.29 64.51 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.772 0.429 . . . . 0.0 110.217 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.3 mtp -61.03 -50.57 72.82 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.843 0.715 . . . . 0.0 110.349 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.42 HD12 HD11 ' A' ' 73' ' ' LEU . 9.3 mp -55.83 -50.47 70.44 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.658 0.783 . . . . 0.0 112.695 176.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.49 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 24.8 t70 -65.36 -40.66 93.84 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.893 0.477 . . . . 0.0 110.508 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 40.1 mm-40 -59.06 -47.26 85.89 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 124.101 0.875 . . . . 0.0 110.704 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.454 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 29.1 mmmt -56.04 -48.14 76.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.254 0.622 . . . . 0.0 111.507 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.81 -47.28 87.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.613 0.571 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -62.06 -28.56 69.69 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.184 . . . . 0.0 111.559 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt-30 -75.62 -37.55 59.67 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.306 0.643 . . . . 0.0 109.671 175.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.616 0.766 . . . . 0.0 110.524 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.59 -29.29 27.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.73 0.812 . . . . 0.0 111.107 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.235 0 C-N-CA 122.914 0.486 . . . . 0.0 110.657 178.822 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -66.78 -33.76 76.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.934 0.397 . . . . 0.0 111.407 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.39 -55.72 17.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.093 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -65.52 -34.73 78.94 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.022 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m0 -68.76 -39.23 80.38 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 HD23 ' A' ' 73' ' ' LEU . 64.9 mt -68.63 -30.96 69.79 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 174.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 m -71.4 -51.14 25.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.849 0.459 . . . . 0.0 110.796 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.24 -32.46 64.74 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.79 0.836 . . . . 0.0 111.312 -173.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 46.3 m0 -75.99 -30.49 58.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.685 0.394 . . . . 0.0 110.424 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -66.2 -37.29 85.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.237 0.615 . . . . 0.0 109.669 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.06 -41.59 77.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.289 1.035 . . . . 0.0 110.24 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.22 -32.9 72.47 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.975 0.91 . . . . 0.0 110.917 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.69 -22.15 43.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.93 0.492 . . . . 0.0 110.822 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.5 57.65 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.234 0.613 . . . . 0.0 110.148 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -80.18 -58.34 3.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 111.614 -171.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -33.48 73.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.991 0.917 . . . . 0.0 110.59 177.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.92 34.22 6.3 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.723 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -85.82 127.56 34.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -70.82 -10.28 59.23 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.796 . . . . 0.0 111.825 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 p -73.39 -3.42 27.19 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.987 0.915 . . . . 0.0 112.641 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -54.77 -35.23 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.405 0.682 . . . . 0.0 111.558 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.39 -50.11 74.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.01 -37.02 59.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 122.355 0.262 . . . . 0.0 110.594 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.15 -35.02 78.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.27 0.628 . . . . 0.0 111.131 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.82 -55.26 7.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.47 0.708 . . . . 0.0 110.508 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.64 -30.0 70.65 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.471 0.482 . . . . 0.0 111.393 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.43 60.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.472 0.709 . . . . 0.0 110.55 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 51.8 tp -57.72 -52.67 64.51 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.635 0.774 . . . . 0.0 110.712 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 9.9 mmm180 -63.58 -37.25 86.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.117 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -64.41 -40.87 96.61 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.238 0.615 . . . . 0.0 110.293 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.627 ' HG ' HD13 ' A' ' 57' ' ' LEU . 1.8 tt -67.03 -36.93 83.18 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.8 0.84 . . . . 0.0 109.798 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 14.0 mm100 -65.9 -34.42 78.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.562 0.745 . . . . 0.0 111.597 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 22.1 ptt85 -100.6 -3.07 31.22 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.971 0.508 . . . . 0.0 112.35 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 55' ' ' LEU . 42.5 t80 -86.01 119.04 71.49 Favored Pre-proline 0 N--CA 1.48 1.068 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.7 -24.67 47.4 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.264 2.642 . . . . 0.0 114.356 -170.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 6.6 mp -82.88 131.43 54.3 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -70.65 110.67 2.79 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.809 2.339 . . . . 0.0 109.537 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.627 HD13 ' HG ' ' A' ' 50' ' ' LEU . 93.4 mt -81.79 61.85 5.34 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.866 0.866 . . . . 0.0 111.508 -174.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -93.17 83.41 4.65 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.786 0.835 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 t -173.08 -52.74 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.864 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.35 -44.52 1.53 Allowed Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.205 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.59 -47.17 86.63 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.026 0.931 . . . . 0.0 110.631 171.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.84 -16.16 64.1 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.531 0.733 . . . . 0.0 112.461 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.76 -22.67 58.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.2 0.6 . . . . 0.0 111.601 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.745 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.0 ttpt -71.5 -28.21 63.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.821 . . . . 0.0 112.701 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.6 pt -64.73 -24.43 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 122.575 0.35 . . . . 0.0 111.339 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -89.21 116.6 27.57 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.66 -21.84 66.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.156 0.582 . . . . 0.0 112.055 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -55.01 -35.16 64.11 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.458 0.703 . . . . 0.0 111.519 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.545 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -79.11 -58.79 3.06 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.271 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 149.66 5.89 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.109 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.49 -33.14 20.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.26 1.024 . . . . 0.0 113.172 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -59.2 -56.88 16.5 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.575 0.75 . . . . 0.0 110.399 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.7 tt -71.8 -36.97 70.45 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.566 -174.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.745 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.2 m -63.52 -36.73 84.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.267 0.627 . . . . 0.0 111.049 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.91 -39.75 83.53 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.728 0.642 . . . . 0.0 110.602 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.69 -50.66 73.05 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 123.276 0.36 . . . . 0.0 111.056 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.69 -34.54 74.08 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.516 0.726 . . . . 0.0 111.876 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.48 -43.6 80.57 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.4 0.68 . . . . 0.0 110.294 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 39.9 mt-10 -67.04 -41.84 85.87 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.047 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 30.7 mmmt -63.74 -41.27 98.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.291 0.236 . . . . 0.0 110.776 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.01 -39.28 94.28 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.77 -41.77 98.13 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.248 1.019 . . . . 0.0 110.711 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 96.2 mt-30 -75.11 -33.58 61.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.499 0.719 . . . . 0.0 110.25 -177.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -61.84 -44.08 97.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.46 1.104 . . . . 0.0 110.202 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.9 mt -80.86 -31.38 35.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.783 0.433 . . . . 0.0 111.204 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 C-N-CA 123.227 0.611 . . . . 0.0 110.899 179.837 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.465 0.174 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -60.39 -29.42 68.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.57 1.148 . . . . 0.0 112.382 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.16 -54.12 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -69.01 -30.65 69.09 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.094 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -70.17 -51.01 34.48 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 122.846 0.459 . . . . 0.0 110.817 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 79.7 mt -64.33 -27.44 69.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.407 . . . . 0.0 111.916 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.6 m -70.27 -49.42 50.01 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.825 0.45 . . . . 0.0 110.949 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.91 -33.74 68.53 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.825 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -70.6 -39.24 73.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.911 0.485 . . . . 0.0 110.158 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -60.94 -43.9 98.0 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.789 0.836 . . . . 0.0 110.575 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.71 -48.79 68.13 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.868 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.95 -32.16 72.4 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.121 0.968 . . . . 0.0 110.99 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.19 71.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.626 0.37 . . . . 0.0 110.571 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.23 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.05 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -80.07 -35.78 36.55 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.359 0.663 . . . . 0.0 111.779 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.569 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 3.9 tpt180 -92.09 -7.73 47.81 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.533 0.733 . . . . 0.0 110.749 -173.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.06 10.56 85.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 116.251 -0.432 . . . . 0.0 113.718 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.569 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 38.2 mmt180 -69.11 122.15 18.17 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -71.98 -3.49 23.03 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.369 0.668 . . . . 0.0 111.815 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 p -67.22 -8.34 30.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.664 0.785 . . . . 0.0 112.114 170.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -51.54 -39.07 57.05 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.087 0.555 . . . . 0.0 110.578 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -61.79 -50.13 73.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.326 1.016 . . . . 0.0 111.434 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.91 -34.41 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 122.147 0.179 . . . . 0.0 111.046 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -74.27 -33.37 63.24 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.034 0.533 . . . . 0.0 111.067 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.66 -46.04 48.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -72.27 -32.51 66.71 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 123.398 0.436 . . . . 0.0 110.744 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.32 -41.56 73.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.467 0.479 . . . . 0.0 110.449 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 62.7 tp -65.41 -44.69 86.66 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.914 0.486 . . . . 0.0 110.9 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -65.55 -37.82 87.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.889 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.0 m -63.28 -44.75 94.19 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.839 0.712 . . . . 0.0 110.544 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.52 -40.27 86.61 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.227 1.011 . . . . 0.0 111.597 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.66 -41.81 36.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.42 0.688 . . . . 0.0 111.793 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.25 -28.96 57.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.476 0.31 . . . . 0.0 111.588 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -76.47 119.77 78.8 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.31 -15.64 38.91 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.406 2.071 . . . . 0.0 112.745 -173.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 47.3 tp -76.06 120.75 83.03 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 109.58 176.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 55' ' ' LEU . 7.9 Cg_exo -72.64 98.92 1.0 Allowed 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 123.01 2.473 . . . . 0.0 110.743 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.26 81.47 6.51 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -89.65 -8.73 51.83 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.378 1.071 . . . . 0.0 110.463 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -121.0 134.38 55.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.503 1.121 . . . . 0.0 109.458 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.48 -22.29 69.43 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.224 -0.444 . . . . 0.0 113.132 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -65.88 -39.33 90.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 0.0 110.648 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 65' ' ' ILE . 28.9 mm-40 -72.85 -23.32 60.74 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.583 0.753 . . . . 0.0 111.034 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.61 -21.98 61.03 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.332 0.653 . . . . 0.0 111.741 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.519 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 48.8 tptt -64.98 -28.95 69.86 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.897 0.879 . . . . 0.0 112.186 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.5 pt -66.58 -17.03 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 117.747 0.249 . . . . 0.0 111.078 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -100.37 121.65 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -83.43 -7.73 59.51 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.508 0.723 . . . . 0.0 111.336 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -66.33 -31.88 72.95 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -75.21 -72.03 0.33 Allowed 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 166.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.45 173.89 50.01 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.69 -0.506 . . . . 0.0 112.7 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.46 -50.34 65.51 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.596 0.758 . . . . 0.0 112.824 -175.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -62.85 -46.36 88.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.837 0.711 . . . . 0.0 110.899 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -65.98 -54.21 29.06 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.7 m -62.16 -34.01 75.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.017 0.927 . . . . 0.0 112.293 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.3 tpt85 -72.79 -44.05 62.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.444 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 61.0 mtm -70.38 -34.88 73.1 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.401 0.438 . . . . 0.0 110.047 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 tp -62.34 -43.92 97.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 109.537 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.71 -40.9 92.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.793 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 22.9 mm-40 -67.35 -35.92 80.35 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.464 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 76' ' ' MET . 30.3 mmmt -67.63 -44.07 78.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.939 0.496 . . . . 0.0 110.142 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.405 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.4 tm? -62.02 -35.82 79.7 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.218 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.14 -39.83 93.58 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.318 1.047 . . . . 0.0 110.491 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 52.0 mt-30 -67.9 -36.3 79.97 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.718 0.407 . . . . 0.0 110.381 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.79 -48.07 78.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.199 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 77.6 mt -66.65 -44.89 80.67 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.426 0.454 . . . . 0.0 110.926 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.867 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.55 -173.667 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.544 0.718 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -65.02 -40.0 94.22 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.36 -47.39 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 117.9 0.318 . . . . 0.0 111.094 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -66.56 -34.23 77.43 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.281 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.442 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.7 m0 -67.73 -43.45 79.94 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 123.788 0.68 . . . . 0.0 111.103 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -32.19 73.58 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.504 0.321 . . . . 0.0 110.716 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.3 m -73.35 -51.68 16.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.814 0.446 . . . . 0.0 111.167 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.7 pt-20 -72.67 -33.94 66.88 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.94 0.496 . . . . 0.0 111.473 -172.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -75.75 -31.07 59.41 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.066 0.546 . . . . 0.0 109.98 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -68.0 -35.01 77.6 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.26 0.624 . . . . 0.0 110.647 171.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.27 -37.79 78.07 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.819 0.847 . . . . 0.0 109.981 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.64 -35.78 77.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.166 0.586 . . . . 0.0 109.963 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.45 -20.62 60.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 111.31 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HA ' HH11 ' A' ' 40' ' ' ARG . . . -79.57 -50.19 11.07 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.178 0.591 . . . . 0.0 110.305 174.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -68.97 -48.15 63.86 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.054 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -72.19 -27.99 62.91 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.005 0.522 . . . . 0.0 111.239 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.88 37.8 12.58 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.721 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -76.02 142.59 41.8 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.717 0.807 . . . . 0.0 109.919 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -74.33 -11.96 60.4 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.173 0.589 . . . . 0.0 110.687 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -73.82 -7.57 52.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 112.641 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.606 HH11 ' HA ' ' A' ' 33' ' ' ALA . 42.2 ttp180 -55.54 -35.8 66.07 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.35 0.595 . . . . 0.0 110.874 174.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -71.07 -43.41 67.81 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.393 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.65 -32.61 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 122.502 0.321 . . . . 0.0 111.021 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -69.11 -33.97 74.33 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.06 0.544 . . . . 0.0 109.907 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.69 -50.64 56.57 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.486 0.714 . . . . 0.0 110.784 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -70.26 -31.3 68.62 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.003 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.74 69.04 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.962 0.505 . . . . 0.0 110.385 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.51 -50.67 57.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.017 0.527 . . . . 0.0 110.667 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -63.23 -43.13 98.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.361 0.664 . . . . 0.0 111.373 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.0 p -60.43 -40.73 92.13 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.516 0.51 . . . . 0.0 110.57 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.74 -34.57 77.1 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.812 0.845 . . . . 0.0 110.021 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -67.71 -35.95 79.74 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.511 0.724 . . . . 0.0 111.497 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -94.72 -6.96 41.96 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.141 0.275 . . . . 0.0 111.304 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' HH ' HD23 ' A' ' 55' ' ' LEU . 15.3 t80 -93.02 105.24 14.3 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.56 -0.88 9.45 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.991 2.46 . . . . 0.0 113.578 -170.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.453 HD23 ' HH ' ' A' ' 53' ' ' TYR . 7.5 mp -82.07 125.44 77.22 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 109.946 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.94 97.07 0.96 Allowed 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 123.383 2.722 . . . . 0.0 110.534 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 mt -74.01 96.34 2.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 110.273 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -98.35 -21.15 16.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.869 0.868 . . . . 0.0 110.753 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.456 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.6 t -119.93 144.19 47.58 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.962 0.905 . . . . 0.0 109.604 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.47 62.7 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 123.24 0.338 . . . . 0.0 112.769 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -63.44 -41.36 98.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.605 1.162 . . . . 0.0 110.65 172.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 32.2 mt-10 -72.67 -27.91 62.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.508 0.723 . . . . 0.0 111.106 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.91 -29.83 55.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.392 0.677 . . . . 0.0 110.971 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 21.8 tptm -60.94 -33.32 73.0 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.682 1.193 . . . . 0.0 112.517 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.8 pt -70.2 -9.77 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.13 124.7 49.56 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.43 0.692 . . . . 0.0 109.273 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.51 -11.77 59.89 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.002 0.921 . . . . 0.0 112.19 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -64.24 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.826 0.451 . . . . 0.0 110.007 171.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.432 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 4.7 m-85 -83.41 -76.55 0.28 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.577 172.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.6 174.84 50.54 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-O 119.699 -0.501 . . . . 0.0 112.682 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.96 -45.49 67.76 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.565 0.746 . . . . 0.0 112.358 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -62.41 -52.99 61.39 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.936 0.894 . . . . 0.0 111.907 -174.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.406 HD12 HD13 ' A' ' 77' ' ' LEU . 1.9 tm? -68.56 -45.9 70.9 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.052 0.941 . . . . 0.0 109.662 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 65.6 m -64.87 -30.64 71.65 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.776 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.66 -42.37 82.28 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.709 0.631 . . . . 0.0 110.022 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -59.66 -46.07 90.14 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.988 0.515 . . . . 0.0 110.617 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.406 HD13 HD12 ' A' ' 73' ' ' LEU . 7.6 mp -62.77 -38.39 90.41 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.602 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.57 -48.36 64.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.262 1.025 . . . . 0.0 111.61 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 38.2 mm-40 -55.75 -53.18 59.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.247 1.019 . . . . 0.0 110.132 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -65.75 -36.43 83.54 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.397 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.5 -47.24 79.7 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -38.59 91.57 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.208 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 14.9 mm100 -72.03 -29.93 64.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.212 0.605 . . . . 0.0 111.171 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -77.23 -34.05 56.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.45 0.7 . . . . 0.0 109.961 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.41 -36.55 74.09 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.361 0.665 . . . . 0.0 110.45 173.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 123.794 0.838 . . . . 0.0 111.332 -177.828 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 38.6 tp . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -65.19 -21.16 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.533 . . . . 0.0 111.527 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.9 t -62.01 -55.7 22.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 122.992 0.517 . . . . 0.0 109.966 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 6.3 ptp180 -63.72 -36.05 82.58 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.265 0.353 . . . . 0.0 110.696 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -67.62 -51.89 44.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 123.706 0.802 . . . . 0.0 111.579 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.47 -28.8 70.21 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.43 0.292 . . . . 0.0 111.526 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -74.89 -44.98 45.86 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.899 0.479 . . . . 0.0 111.249 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.96 -38.83 69.7 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.602 0.361 . . . . 0.0 111.015 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.424 ' HZ2' ' HE2' ' A' ' 80' ' ' LYS . 33.0 m0 -72.64 -34.38 67.24 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.935 0.494 . . . . 0.0 110.422 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -62.91 -39.45 94.57 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.437 0.695 . . . . 0.0 110.459 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.39 -42.09 72.17 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.82 0.7 . . . . 0.0 110.032 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.53 -37.18 86.65 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.105 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.46 -32.24 71.04 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.978 -0.451 . . . . 0.0 111.01 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.23 58.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.955 0.902 . . . . 0.0 111.548 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -97.51 -57.77 2.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.26 0.624 . . . . 0.0 111.265 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.41 -52.04 56.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.415 0.686 . . . . 0.0 110.554 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.45 68.35 0.26 Allowed Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.34 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -117.17 135.87 53.46 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -74.54 -4.07 34.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.336 0.654 . . . . 0.0 112.61 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.9 p -79.69 4.64 15.56 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.427 0.691 . . . . 0.0 111.388 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 tpt85 -51.18 -43.62 61.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.71 1.204 . . . . 0.0 111.757 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.65 -46.13 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 124.277 0.986 . . . . 0.0 111.193 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.93 -33.19 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.295 0.238 . . . . 0.0 111.287 -176.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -76.25 -29.86 57.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.133 0.573 . . . . 0.0 111.172 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.18 -48.64 75.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.89 0.476 . . . . 0.0 110.424 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -75.09 -34.87 61.8 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.553 0.533 . . . . 0.0 111.962 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.14 89.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.616 0.722 . . . . 0.0 110.098 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 55.3 tp -68.69 -40.42 80.07 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.571 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -58.36 -48.08 81.72 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.428 0.691 . . . . 0.0 110.438 -174.554 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.7 p -59.59 -48.26 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.435 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.413 HD11 HD13 ' A' ' 57' ' ' LEU . 22.7 tp -62.89 -30.09 71.26 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 123.599 0.76 . . . . 0.0 112.299 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.9 mm100 -70.35 -41.65 72.88 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.662 0.385 . . . . 0.0 110.319 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 10.9 ptt180 -100.88 15.6 27.98 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.41 0.684 . . . . 0.0 111.941 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -130.0 93.96 32.4 Favored Pre-proline 0 N--CA 1.479 0.992 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 170.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.88 37.19 0.65 Allowed 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 123.718 2.946 . . . . 0.0 113.934 -170.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD13 HD21 ' A' ' 57' ' ' LEU . 2.1 tm? -83.56 130.36 56.34 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 173.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.433 ' HD2' HD23 ' A' ' 55' ' ' LEU . 55.9 Cg_endo -67.43 88.22 0.33 Allowed 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.322 2.015 . . . . 0.0 111.841 173.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.517 HD21 HD13 ' A' ' 55' ' ' LEU . 79.3 mt -74.14 104.19 4.85 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 171.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -99.92 -45.21 5.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.799 0.839 . . . . 0.0 109.76 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.601 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 37.3 t -90.28 144.77 25.53 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -64.41 -25.9 70.32 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.433 173.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -64.0 -33.1 74.96 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.492 0.717 . . . . 0.0 111.15 173.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.601 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 39.4 mt-10 -68.82 -28.32 66.64 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.616 0.366 . . . . 0.0 111.081 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -68.04 -15.12 63.46 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.292 0.637 . . . . 0.0 112.437 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.628 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 22.0 tptm -67.93 -26.26 65.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 0.0 112.199 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.2 pt -63.97 -24.85 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 -175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.45 111.88 23.96 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 123.758 0.823 . . . . 0.0 108.93 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -77.07 -2.44 34.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.946 0.898 . . . . 0.0 112.112 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -70.63 -29.29 65.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -68.47 0.48 Allowed 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 167.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.71 172.19 34.62 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.499 -170.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.39 -42.5 87.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.378 0.671 . . . . 0.0 112.036 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -67.42 -44.82 77.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.552 0.741 . . . . 0.0 111.375 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -63.13 -44.95 94.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.876 0.871 . . . . 0.0 109.477 178.29 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.628 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 10.3 t -57.39 -39.64 76.52 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.516 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -70.46 -34.81 72.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.585 0.553 . . . . 0.0 110.912 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.55 -48.16 83.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.79 0.329 . . . . 0.0 110.485 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 73' ' ' LEU . 9.4 mp -68.01 -30.09 69.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.746 0.818 . . . . 0.0 111.949 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.513 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 31.6 t70 -69.83 -45.63 67.4 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.826 0.85 . . . . 0.0 110.368 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 15.4 mm-40 -61.68 -52.95 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.104 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HE2' ' HZ2' ' A' ' 28' ' ' TRP . 29.3 mmmt -57.75 -41.98 83.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.611 0.764 . . . . 0.0 112.075 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.23 -48.13 83.06 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.831 0.452 . . . . 0.0 110.006 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -31.86 73.19 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.633 0.583 . . . . 0.0 111.235 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.4 mt-30 -73.79 -31.51 63.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.003 0.521 . . . . 0.0 110.239 178.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.99 -34.11 68.66 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.867 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.58 -32.43 66.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.923 0.489 . . . . 0.0 109.943 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 123.603 0.761 . . . . 0.0 110.815 176.671 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 120.367 0.127 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -63.33 -44.24 95.49 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.229 1.012 . . . . 0.0 112.096 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.26 -45.77 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 123.407 0.442 . . . . 0.0 110.979 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -71.77 -30.59 65.72 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.916 0.486 . . . . 0.0 111.109 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -68.68 -45.15 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.036 0.534 . . . . 0.0 110.237 175.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 76.7 mt -66.06 -29.93 70.36 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 122.325 -0.234 . . . . 0.0 111.335 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.439 ' HA ' HD22 ' A' ' 47' ' ' LEU . 99.3 m -66.97 -49.81 64.25 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.434 0.694 . . . . 0.0 110.867 177.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -67.39 -46.96 71.71 Favored 'General case' 0 C--O 1.199 -1.553 0 O-C-N 123.77 0.669 . . . . 0.0 109.982 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -64.21 -35.44 80.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.291 0.636 . . . . 0.0 111.946 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.9 ttp85 -64.39 -51.31 63.9 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.618 0.723 . . . . 0.0 110.983 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -70.79 -41.33 71.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.464 -174.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.16 -34.31 77.78 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 124.503 1.121 . . . . 0.0 110.559 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.564 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -60.89 -41.32 95.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.09 70.18 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.722 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 m -78.2 -16.31 57.99 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.726 0.81 . . . . 0.0 113.172 -171.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -104.04 -37.8 7.21 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.459 0.704 . . . . 0.0 109.591 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.97 21.86 6.51 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.197 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.564 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 mpt_? -74.95 140.95 44.06 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.3 0.64 . . . . 0.0 109.951 172.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -79.78 -5.58 55.62 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.862 0.865 . . . . 0.0 111.002 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 p -75.12 8.59 2.5 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.166 0.986 . . . . 0.0 112.817 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -49.93 -50.34 46.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.905 1.282 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -72.97 -41.23 64.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.0 0.92 . . . . 0.0 111.466 -169.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.86 -40.52 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 122.923 0.489 . . . . 0.0 110.676 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.38 -28.81 61.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.821 0.448 . . . . 0.0 110.875 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -56.45 18.21 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.378 0.671 . . . . 0.0 109.848 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -70.89 -37.05 72.98 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.879 0.737 . . . . 0.0 112.137 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.35 71.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.177 0.591 . . . . 0.0 110.722 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.9 tp -62.49 -48.58 78.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.896 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -53.77 -41.47 67.2 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.288 0.993 . . . . 0.0 110.72 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 58.7 m -64.44 -47.04 80.57 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.367 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HG ' HD11 ' A' ' 57' ' ' LEU . 4.3 tt -62.69 -35.63 80.32 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.165 0.586 . . . . 0.0 110.276 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.5 mm-40 -65.28 -38.62 90.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.013 0.925 . . . . 0.0 110.855 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -96.32 -2.41 45.88 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.085 0.554 . . . . 0.0 112.166 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.5 t80 -84.96 120.61 73.84 Favored Pre-proline 0 N--CA 1.481 1.089 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -175.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HG2' HD11 ' A' ' 55' ' ' LEU . 73.8 Cg_endo -73.78 -13.73 24.33 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.83 2.353 . . . . 0.0 113.143 -175.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD11 ' HG2' ' A' ' 54' ' ' PRO . 6.4 mp -85.2 130.77 50.61 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -81.17 98.09 1.02 Allowed 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 122.952 2.435 . . . . 0.0 111.07 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.519 HD11 ' HG ' ' A' ' 50' ' ' LEU . 76.3 mt -74.16 96.87 2.82 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.225 -176.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -99.89 0.17 40.79 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.915 0.886 . . . . 0.0 110.494 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -142.55 148.33 37.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.419 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.452 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -69.94 -20.5 76.22 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.881 173.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.56 -36.31 73.71 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.485 1.114 . . . . 0.0 110.999 169.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.4 mt-10 -80.82 -33.78 34.46 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.782 0.833 . . . . 0.0 110.833 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.09 62.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.123 0.569 . . . . 0.0 111.093 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.457 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 64.2 tttp -56.41 -36.01 68.44 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.061 1.344 . . . . 0.0 112.827 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 62' ' ' GLU . 17.6 pt -66.21 -25.6 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.033 0.533 . . . . 0.0 111.588 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -84.14 115.73 22.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.99 -13.89 62.72 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.027 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -59.9 -33.49 71.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.327 1.051 . . . . 0.0 111.345 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.41 -66.85 0.86 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.525 1.13 . . . . 0.0 108.412 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.04 152.35 20.01 Favored Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -169.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.47 -49.92 75.58 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.25 0.62 . . . . 0.0 112.291 -177.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -62.15 -40.27 95.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.536 0.734 . . . . 0.0 110.62 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 77' ' ' LEU . 2.0 tm? -58.57 -53.25 60.48 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 124.265 0.978 . . . . 0.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 60.9 m -66.72 -28.12 68.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.881 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -71.35 -35.89 71.33 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.835 0.71 . . . . 0.0 110.171 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 90.3 mmm -62.25 -48.13 81.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.83 0.452 . . . . 0.0 110.117 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 73' ' ' LEU . 10.9 mp -60.6 -40.76 92.97 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.702 0.801 . . . . 0.0 112.177 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.452 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 16.3 t70 -70.49 -42.83 70.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.638 0.775 . . . . 0.0 110.091 -175.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.9 mm-40 -66.25 -37.57 85.81 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.944 -1.026 . . . . 0.0 111.141 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -62.32 -48.27 80.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 0.0 111.517 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.86 -41.13 86.3 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 121.573 0.701 . . . . 0.0 109.622 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.59 -38.62 91.82 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.828 1.251 . . . . 0.0 111.317 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.9 mt-30 -73.2 -32.6 64.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 123.865 0.866 . . . . 0.0 110.448 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -60.77 -42.81 98.23 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.421 1.088 . . . . 0.0 109.879 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.53 -38.51 48.6 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.491 0.717 . . . . 0.0 111.599 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 C-N-CA 123.726 0.811 . . . . 0.0 111.157 -176.362 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.63 -37.1 86.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.244 0.618 . . . . 0.0 112.195 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 m -67.55 -45.68 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 117.839 0.29 . . . . 0.0 110.992 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -68.38 -32.6 72.8 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.486 0.184 . . . . 0.0 110.752 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -66.74 -50.07 63.94 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.249 0.62 . . . . 0.0 110.61 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.18 -30.02 71.1 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.789 0.436 . . . . 0.0 111.417 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.8 m -70.0 -49.97 46.21 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.487 0.715 . . . . 0.0 111.104 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.13 -40.45 68.07 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 -174.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 39.7 m0 -64.59 -36.33 83.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.806 0.442 . . . . 0.0 110.69 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -56.15 -58.79 6.47 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.89 0.876 . . . . 0.0 110.957 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -79.05 -36.02 41.66 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.322 -168.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.012 0.525 . . . . 0.0 111.288 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 37' ' ' ARG . . . -63.2 -48.41 78.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.729 0.412 . . . . 0.0 110.063 175.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.516 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . . . -61.44 -39.39 90.64 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.196 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 t -69.87 -30.15 67.55 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.267 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -85.27 -26.87 26.37 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.697 0.799 . . . . 0.0 110.685 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.73 -24.21 5.52 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.11 0.386 . . . . 0.0 112.805 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 31.7 mmt180 -58.88 134.92 57.34 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.874 0.869 . . . . 0.0 111.58 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -88.03 8.84 24.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.424 0.69 . . . . 0.0 110.312 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -69.53 -2.24 10.84 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.53 0.732 . . . . 0.0 111.623 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' A' ' 33' ' ' ALA . 45.2 ttt180 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 123.088 0.555 . . . . 0.0 110.4 171.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -69.67 -35.93 75.57 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.142 -172.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.39 -37.57 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 117.864 0.302 . . . . 0.0 110.492 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -69.72 -29.31 66.67 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.376 0.67 . . . . 0.0 110.424 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.31 -54.99 18.22 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.41 1.084 . . . . 0.0 110.834 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -72.7 -28.46 62.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.806 0.442 . . . . 0.0 111.529 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.26 93.75 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.281 0.632 . . . . 0.0 109.938 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.36 -50.04 69.28 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.557 -1.202 . . . . 0.0 111.105 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.6 mmp_? -58.79 -39.29 80.65 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.854 0.862 . . . . 0.0 111.049 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 32.3 t -65.67 -45.46 82.79 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.359 176.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 HD13 HD12 ' A' ' 57' ' ' LEU . 45.0 tp -63.79 -39.14 93.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.941 0.896 . . . . 0.0 111.647 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -67.36 -41.57 84.89 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.478 0.711 . . . . 0.0 110.911 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -81.48 -20.82 39.38 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.636 0.374 . . . . 0.0 111.271 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 7.8 t80 -76.2 117.19 62.36 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.587 0.755 . . . . 0.0 110.047 -172.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -76.33 -17.55 16.63 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.978 2.452 . . . . 0.0 113.001 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 1.9 tm? -76.32 119.82 78.98 Favored Pre-proline 0 CA--C 1.554 1.131 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.18 101.93 1.18 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.607 2.205 . . . . 0.0 112.014 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.48 HD12 HD13 ' A' ' 50' ' ' LEU . 91.4 mt -77.06 101.7 6.18 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -84.27 -22.7 30.66 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.523 1.129 . . . . 0.0 110.413 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.8 m -136.71 158.61 44.04 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.187 0.995 . . . . 0.0 110.582 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.45 -16.48 79.97 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.999 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.2 -34.65 75.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.608 1.163 . . . . 0.0 110.519 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 65' ' ' ILE . 46.3 mt-10 -83.25 -26.78 30.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.258 0.623 . . . . 0.0 110.058 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.78 60.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.959 0.503 . . . . 0.0 111.569 173.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 56.0 tttp -62.62 -32.73 73.8 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.427 1.091 . . . . 0.0 111.389 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.4 pt -69.58 -11.79 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 122.687 0.395 . . . . 0.0 111.332 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mp -104.68 113.5 27.12 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.413 0.685 . . . . 0.0 109.647 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.61 -9.65 58.57 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.039 0.935 . . . . 0.0 111.111 173.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -57.67 -39.78 77.87 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.31 1.044 . . . . 0.0 110.581 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.489 ' HB3' HD22 ' A' ' 73' ' ' LEU . 3.1 m-85 -76.33 -54.39 6.84 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.58 145.38 18.93 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.211 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -50.31 -39.41 45.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.04 1.336 . . . . 0.0 113.408 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.411 ' NH2' ' HG3' ' A' ' 75' ' ' ARG . 5.1 mmp_? -73.43 -40.18 64.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.02 0.528 . . . . 0.0 111.455 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 69' ' ' PHE . 6.8 tt -69.56 -37.37 76.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.116 0.566 . . . . 0.0 109.719 178.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 71.9 m -63.19 -36.23 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.211 1.004 . . . . 0.0 110.051 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' HG3' ' NH2' ' A' ' 72' ' ' ARG . 20.4 mmt180 -67.14 -46.72 73.23 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.712 172.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.7 mmm -59.98 -39.81 86.98 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.256 0.551 . . . . 0.0 110.01 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.29 -45.13 70.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.094 1.358 . . . . 0.0 110.796 -174.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.63 -35.09 62.88 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 41.6 mt-10 -68.46 -38.86 81.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.81 0.844 . . . . 0.0 110.831 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.1 mmmt -64.38 -44.85 90.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.091 0.556 . . . . 0.0 110.949 173.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.8 tm? -61.56 -35.2 77.11 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -67.48 -40.9 85.28 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.5 mt-30 -65.48 -34.81 79.15 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.124 0.569 . . . . 0.0 109.873 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -59.67 -49.22 78.59 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 109.999 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 75.0 mt -72.67 -21.88 61.0 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.344 0.658 . . . . 0.0 112.077 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 C-N-CA 122.929 0.491 . . . . 0.0 111.054 -173.473 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.323 0.583 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -72.05 -21.13 61.57 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.158 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.22 -39.65 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 118.016 0.371 . . . . 0.0 110.29 -178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -74.06 -36.49 64.34 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -65.18 -42.33 93.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.874 0.734 . . . . 0.0 111.296 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 HD21 HD12 ' A' ' 77' ' ' LEU . 73.0 mt -73.07 -30.88 64.01 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.484 0.314 . . . . 0.0 111.388 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.5 m -66.88 -47.72 70.98 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.164 0.29 . . . . 0.0 110.692 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.52 -43.89 68.7 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 123.514 0.509 . . . . 0.0 110.52 -175.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -65.18 -30.94 71.89 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 118.204 0.456 . . . . 0.0 111.613 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -68.59 -46.23 69.9 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.783 0.833 . . . . 0.0 110.96 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.36 -40.21 77.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.779 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -68.62 -35.41 77.27 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 124.067 0.947 . . . . 0.0 109.545 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.65 72.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.081 0.552 . . . . 0.0 111.132 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.78 63.06 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.002 0.43 . . . . 0.0 110.508 172.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -74.14 -21.73 59.74 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.619 0.768 . . . . 0.0 112.428 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -109.53 -1.61 18.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.587 0.755 . . . . 0.0 111.136 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.17 14.77 81.57 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.223 0.449 . . . . 0.0 114.223 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -67.6 135.47 52.95 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.775 0.83 . . . . 0.0 110.554 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -80.06 -9.39 59.69 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.308 0.643 . . . . 0.0 112.037 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -79.5 5.13 13.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.798 0.839 . . . . 0.0 112.781 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.5 -40.98 75.9 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.013 0.525 . . . . 0.0 112.167 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.77 -35.03 67.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 8.6 p -76.68 -32.06 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 122.489 0.316 . . . . 0.0 110.265 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.79 -33.17 72.0 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.844 0.458 . . . . 0.0 110.529 171.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -52.11 32.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.604 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 19.3 ptpt -71.48 -30.21 65.72 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.36 0.413 . . . . 0.0 111.442 -175.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.44 76.1 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.013 0.525 . . . . 0.0 109.918 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 54.6 tp -58.32 -50.76 72.49 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.819 173.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -60.59 -38.11 83.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.379 1.072 . . . . 0.0 110.615 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 t -69.14 -34.91 75.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.933 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.668 ' HG ' HD11 ' A' ' 57' ' ' LEU . 6.7 tt -73.24 -41.48 63.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.449 0.7 . . . . 0.0 109.565 178.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 57.6 mt-30 -61.87 -35.2 77.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.924 0.89 . . . . 0.0 111.578 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -85.68 -35.17 21.04 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 122.803 0.441 . . . . 0.0 111.81 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -72.83 118.19 66.09 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.274 0.63 . . . . 0.0 109.635 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.99 43.75 1.44 Allowed 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.844 2.363 . . . . 0.0 112.871 -173.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.7 tp -122.81 127.56 25.7 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 123.296 0.638 . . . . 0.0 109.781 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.55 89.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.559 2.839 . . . . 0.0 112.576 170.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.668 HD11 ' HG ' ' A' ' 50' ' ' LEU . 95.7 mt -82.47 91.29 6.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.183 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -109.03 -26.76 10.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.259 0.624 . . . . 0.0 109.864 169.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 m -86.0 123.91 31.85 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -65.48 -23.95 70.61 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 123.429 0.456 . . . . 0.0 113.781 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -58.85 -32.3 69.31 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.515 1.126 . . . . 0.0 111.451 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.28 6.8 35.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.551 0.74 . . . . 0.0 112.452 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.45 25.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 122.525 0.33 . . . . 0.0 110.851 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 34.7 ttpt -71.79 -15.68 62.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -173.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 pt -66.75 -19.33 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 122.492 0.317 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . 2.8 mp -97.46 141.0 31.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.27 0.628 . . . . 0.0 109.357 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -66.86 -28.08 68.05 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.098 0.959 . . . . 0.0 113.132 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -72.39 -21.21 61.31 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 7.4 m-85 -84.1 -81.62 0.17 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.99 179.93 41.38 Favored Glycine 0 N--CA 1.473 1.143 0 CA-C-O 120.093 -0.282 . . . . 0.0 112.408 -174.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.81 -48.05 80.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.76 0.824 . . . . 0.0 112.934 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.5 -46.22 83.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.285 0.634 . . . . 0.0 110.778 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -50.45 62.15 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.717 -176.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 38.8 t -61.28 -34.06 74.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.623 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.53 -34.96 75.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.711 0.632 . . . . 0.0 110.21 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.16 -52.05 67.35 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.715 0.406 . . . . 0.0 110.2 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD12 HD21 ' A' ' 25' ' ' LEU . 10.2 mp -62.91 -39.18 93.75 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.229 0.611 . . . . 0.0 111.949 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.464 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 25.7 t70 -74.72 -41.07 60.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 0.0 111.381 -174.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.5 mm-40 -64.4 -51.75 61.69 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.131 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -60.15 -42.56 95.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.991 0.517 . . . . 0.0 111.477 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 58' ' ' ARG . 2.8 tm? -62.87 -39.57 94.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.034 0.534 . . . . 0.0 109.881 177.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.626 ' HZ2' ' HB2' ' A' ' 82' ' ' LYS . 4.9 ttmp? -61.52 -39.69 91.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.585 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mm-40 -76.09 -35.62 59.28 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.488 0.315 . . . . 0.0 110.473 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -52.7 -50.63 62.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.963 1.305 . . . . 0.0 110.255 173.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.77 -50.3 65.26 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.265 176.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -174.268 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 121.297 0.57 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.468 ' HB2' HD13 ' A' ' 50' ' ' LEU . 18.7 m-30 -70.26 -21.13 63.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.005 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.28 -43.9 91.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -73.0 -34.91 66.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 122.562 0.345 . . . . 0.0 110.112 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -71.61 -34.72 70.1 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 123.747 0.654 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.512 HD23 HD22 ' A' ' 73' ' ' LEU . 71.4 mt -76.48 -28.27 56.41 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.583 0.353 . . . . 0.0 111.717 174.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.5 m -69.55 -49.46 54.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.849 0.459 . . . . 0.0 110.407 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.03 -38.87 83.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.499 0.319 . . . . 0.0 110.949 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -68.31 -40.29 81.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.066 0.546 . . . . 0.0 111.099 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HG2' ' NH1' ' A' ' 40' ' ' ARG . 19.9 ttp85 -62.41 -37.36 85.52 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 109.999 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -46.44 72.92 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.648 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.51 -35.27 79.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.576 0.75 . . . . 0.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.48 56.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.875 0.87 . . . . 0.0 111.206 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' HB1' ' NH1' ' A' ' 40' ' ' ARG . . . -75.67 -58.92 3.0 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 171.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.5 m -61.57 -46.67 88.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.406 1.082 . . . . 0.0 112.052 -172.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -81.54 -18.21 45.77 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.855 0.862 . . . . 0.0 110.59 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.92 82.1 0.45 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.64 144.24 50.97 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.03 0.932 . . . . 0.0 109.001 -174.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -61.29 -31.54 71.38 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.055 0.455 . . . . 0.0 110.44 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 p -67.97 -5.2 15.94 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.508 1.123 . . . . 0.0 113.545 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.433 ' NH1' ' HG2' ' A' ' 29' ' ' ARG . 20.4 tpt180 -51.01 -45.41 61.22 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.594 0.758 . . . . 0.0 111.125 173.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -73.06 -36.74 66.93 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.946 -174.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.46 -39.21 47.8 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 CA-C-N 117.509 0.14 . . . . 0.0 110.777 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.6 -33.15 73.55 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.844 0.457 . . . . 0.0 110.408 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -63.73 -56.28 16.82 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.96 0.904 . . . . 0.0 110.784 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -71.33 -29.39 64.95 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.604 0.565 . . . . 0.0 111.663 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.061 0.545 . . . . 0.0 110.361 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.7 tp -64.03 -42.52 97.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.483 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -63.89 -40.15 95.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.063 0.545 . . . . 0.0 111.231 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 69.9 m -65.11 -37.54 87.79 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.412 0.685 . . . . 0.0 110.842 176.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.621 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.5 tt -68.18 -39.79 82.42 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.529 0.732 . . . . 0.0 109.487 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.68 -44.83 92.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.556 0.742 . . . . 0.0 111.24 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -77.95 -17.66 56.94 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.574 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 49' ' ' SER . 3.3 t80 -77.62 118.78 74.24 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.041 0.536 . . . . 0.0 109.759 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -84.76 25.38 0.7 Allowed 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.841 2.36 . . . . 0.0 113.608 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -112.3 137.02 21.4 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 123.264 0.626 . . . . 0.0 109.521 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.0 93.18 1.08 Allowed 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.726 2.284 . . . . 0.0 111.345 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.621 HD12 ' HG ' ' A' ' 50' ' ' LEU . 65.8 mt -79.45 105.48 10.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.3 0.64 . . . . 0.0 110.387 -176.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -132.45 -3.68 3.38 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.713 0.805 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.654 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.8 t -120.84 138.05 54.25 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.77 -24.79 62.81 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 123.471 0.482 . . . . 0.0 113.356 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.6 -44.69 93.25 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.895 0.878 . . . . 0.0 110.163 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.654 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 15.3 mm-40 -72.17 -25.36 61.66 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.415 0.686 . . . . 0.0 110.975 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.94 -21.45 34.1 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.963 0.505 . . . . 0.0 111.273 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.562 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 52.2 tttm -72.68 -29.14 63.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.726 0.81 . . . . 0.0 112.035 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 pt -63.86 -17.42 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 122.702 0.401 . . . . 0.0 111.583 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.4 105.88 17.98 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.09 -9.56 58.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -65.25 -25.24 67.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.98 0.912 . . . . 0.0 110.368 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.664 ' HB3' HD21 ' A' ' 73' ' ' LEU . 1.5 m-30 -77.68 -50.82 11.67 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.924 0.89 . . . . 0.0 109.27 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.43 153.21 30.07 Favored Glycine 0 C--N 1.342 0.909 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.574 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.11 -46.39 44.77 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.816 1.246 . . . . 0.0 112.562 -174.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.19 -52.09 63.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.935 0.894 . . . . 0.0 110.224 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 69' ' ' PHE . 9.0 tt -65.3 -40.02 93.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.008 0.923 . . . . 0.0 110.906 -175.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 78.5 m -61.47 -37.67 84.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.565 0.746 . . . . 0.0 111.022 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.82 -35.42 67.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.036 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.5 mtp -64.43 -41.09 96.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.586 0.754 . . . . 0.0 110.802 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.26 -43.76 98.34 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.051 0.94 . . . . 0.0 110.955 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.36 -31.96 73.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.069 0.948 . . . . 0.0 111.147 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.48 -48.25 50.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.592 0.757 . . . . 0.0 110.519 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.62 -50.34 74.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.926 0.49 . . . . 0.0 110.817 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.26 -43.13 78.44 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 124.347 1.029 . . . . 0.0 110.203 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.614 ' HZ2' ' HB2' ' A' ' 82' ' ' LYS . 4.9 ttmp? -61.7 -49.88 74.71 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.167 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -74.66 -34.15 62.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.974 0.51 . . . . 0.0 111.124 -170.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.76 -52.9 54.53 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 124.029 0.831 . . . . 0.0 109.571 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.3 mt -70.77 -24.22 62.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.695 0.622 . . . . 0.0 111.257 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.151 0 C-N-CA 123.084 0.554 . . . . 0.0 109.987 174.7 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -64.33 -45.46 87.74 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.3 -36.53 49.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -70.41 -42.51 71.54 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.35 0.26 . . . . 0.0 110.394 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.433 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 26.2 m0 -65.66 -43.09 90.45 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.526 0.517 . . . . 0.0 110.859 -176.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 73.1 mt -66.41 -34.34 77.73 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -74.76 -45.36 44.34 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 117.737 0.244 . . . . 0.0 111.189 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 13.1 pt-20 -72.41 -39.54 67.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.728 0.411 . . . . 0.0 110.819 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.417 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 51.7 m0 -72.51 -33.01 66.61 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.838 0.455 . . . . 0.0 109.986 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.4 ttm180 -60.07 -51.56 69.09 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.144 0.497 . . . . 0.0 110.283 171.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.1 -44.12 97.36 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.188 0.995 . . . . 0.0 110.625 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.38 -42.46 87.91 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.73 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.76 70.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.253 0.621 . . . . 0.0 111.1 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.81 88.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.663 0.785 . . . . 0.0 110.525 175.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -86.65 -29.82 22.23 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.363 0.665 . . . . 0.0 112.643 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -101.42 7.98 42.35 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.76 0.824 . . . . 0.0 112.024 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.79 28.07 72.46 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.525 0.516 . . . . 0.0 114.308 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.22 130.87 38.76 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.233 0.613 . . . . 0.0 109.424 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -78.0 -10.14 59.46 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.756 0.822 . . . . 0.0 110.885 -176.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.402 ' O ' HG11 ' A' ' 42' ' ' VAL . 18.8 p -68.2 -10.73 56.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.487 0.715 . . . . 0.0 112.052 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 23.4 ttp180 -51.78 -42.19 62.23 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.394 0.616 . . . . 0.0 110.953 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -68.7 -37.79 79.8 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 113.706 -1.588 . . . . 0.0 111.2 -175.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 39' ' ' THR . 9.9 p -76.14 -34.71 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 117.576 0.171 . . . . 0.0 110.56 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -68.09 -30.26 69.4 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.005 0.522 . . . . 0.0 110.063 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.424 ' HA ' HH21 ' A' ' 29' ' ' ARG . 52.7 tt0 -71.74 -54.9 8.77 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.918 0.887 . . . . 0.0 111.272 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -70.29 -32.79 70.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.763 0.664 . . . . 0.0 111.767 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.47 64.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.825 0.45 . . . . 0.0 110.713 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 57.5 tp -63.33 -45.85 89.35 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.4 -34.32 75.16 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.681 0.613 . . . . 0.0 110.727 -177.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -64.7 -40.87 96.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.616 0.767 . . . . 0.0 110.463 173.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 tp -73.18 -30.64 63.69 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.503 0.721 . . . . 0.0 111.003 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 19.6 mm-40 -68.04 -38.45 82.51 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.588 0.755 . . . . 0.0 110.839 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -84.29 -24.3 29.93 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.43 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 10.0 t80 -82.55 116.33 63.21 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.083 0.553 . . . . 0.0 109.549 -176.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -80.32 1.96 8.86 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.94 2.427 . . . . 0.0 113.539 -173.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 HD11 HD21 ' A' ' 57' ' ' LEU . 1.9 tm? -94.75 114.7 64.17 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.54 96.74 1.0 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.209 1.94 . . . . 0.0 110.624 173.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 63' ' ' ALA . 78.1 mt -52.53 -50.09 63.56 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.42 1.088 . . . . 0.0 111.677 -174.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 71.12 -61.04 0.49 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.258 1.423 . . . . 0.0 112.154 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -89.3 148.0 23.79 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.828 0.851 . . . . 0.0 110.001 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.49 -20.07 79.26 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.37 -33.36 75.66 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.429 0.614 . . . . 0.0 111.609 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.5 mt-10 -79.34 -9.77 59.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.679 . . . . 0.0 112.204 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -75.11 -17.47 60.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.811 0.444 . . . . 0.0 111.214 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -69.22 -33.92 74.05 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.045 0.938 . . . . 0.0 112.014 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 62' ' ' GLU . 27.6 pt -63.65 -32.98 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 120.813 0.34 . . . . 0.0 110.742 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 57' ' ' LEU . 96.1 mt -86.52 104.84 16.36 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.73 -22.55 65.47 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.892 1.277 . . . . 0.0 112.475 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -59.8 -33.2 71.41 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.597 0.759 . . . . 0.0 110.758 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -71.46 -70.28 0.33 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 171.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 176.46 51.24 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.81 -43.53 98.56 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.03 -45.69 87.77 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.886 0.474 . . . . 0.0 110.952 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -69.56 -48.96 58.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.851 0.86 . . . . 0.0 109.67 -176.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 38.7 t -55.58 -38.45 69.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.62 1.168 . . . . 0.0 110.891 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -67.9 -46.92 70.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.504 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 86.4 mmm -55.22 -53.75 52.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 111.499 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 73' ' ' LEU . 8.0 mp -67.54 -32.02 72.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.987 0.515 . . . . 0.0 111.69 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.28 -47.1 65.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.119 0.568 . . . . 0.0 110.828 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 61.6 mt-10 -69.54 -46.46 66.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.945 0.898 . . . . 0.0 110.747 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.417 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 28.8 mmmt -64.39 -41.59 96.58 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.548 0.739 . . . . 0.0 111.141 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 57.0 tp -54.2 -48.39 71.04 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.863 0.727 . . . . 0.0 109.19 174.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.08 -40.57 94.19 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.487 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 78.2 mt-30 -65.47 -39.21 91.7 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.414 0.626 . . . . 0.0 110.632 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -70.51 -46.69 63.19 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.168 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 63.9 mt -74.24 -28.02 61.04 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.959 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.408 0 C-N-CA 123.275 0.63 . . . . 0.0 110.657 179.293 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -65.37 -33.41 75.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.265 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -55.25 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 122.611 0.364 . . . . 0.0 110.765 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -60.33 -34.25 73.56 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 122.992 0.182 . . . . 0.0 111.008 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -65.61 -47.44 75.67 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.473 0.709 . . . . 0.0 111.392 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.73 -28.37 68.37 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.946 0.498 . . . . 0.0 111.354 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -71.3 -51.62 23.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.889 0.876 . . . . 0.0 110.846 177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 12.7 pt-20 -68.11 -42.6 80.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.474 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.0 -35.63 76.9 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.217 0.607 . . . . 0.0 110.718 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -41.99 91.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.681 0.793 . . . . 0.0 110.771 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.34 -37.76 68.79 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.767 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 50.3 mm-40 -61.19 -42.13 98.03 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . . . -72.85 -21.2 60.98 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.025 0.93 . . . . 0.0 112.093 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -76.29 -49.83 15.96 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.043 0.537 . . . . 0.0 110.697 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -74.6 -52.85 10.64 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.581 0.753 . . . . 0.0 111.481 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -68.29 -27.89 66.71 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.97 0.908 . . . . 0.0 110.821 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.64 83.5 0.67 Allowed Glycine 0 C--N 1.351 1.362 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 32' ' ' ALA . 54.2 mtp180 -130.74 145.1 51.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.391 1.076 . . . . 0.0 109.214 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -68.48 -22.09 64.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.098 0.959 . . . . 0.0 112.007 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.4 p -78.68 -5.6 53.51 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 13.3 ttp180 -52.42 -40.81 62.6 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.393 0.616 . . . . 0.0 111.674 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -71.17 -44.39 65.6 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.112 -1.404 . . . . 0.0 111.21 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.19 -34.04 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.122 0.169 . . . . 0.0 110.631 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -64.79 -42.37 95.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.035 0.534 . . . . 0.0 109.962 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -65.16 -45.2 85.92 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.131 0.973 . . . . 0.0 111.914 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -65.32 -48.8 71.8 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.608 0.763 . . . . 0.0 110.477 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.32 90.52 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.559 177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.479 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 55.2 tp -61.35 -52.13 65.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.982 0.913 . . . . 0.0 110.513 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -46.75 87.82 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.989 0.916 . . . . 0.0 110.252 -176.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -60.23 -43.35 96.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.483 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.685 ' HG ' HD13 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -66.97 -40.1 87.37 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.143 0.577 . . . . 0.0 110.313 -177.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.479 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 46.2 mt-30 -68.07 -27.01 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.676 0.79 . . . . 0.0 112.325 -177.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 ptt85 -95.42 -22.61 17.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.655 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.425 ' HE2' HD22 ' A' ' 57' ' ' LEU . 12.4 t80 -76.87 117.66 66.41 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 123.889 0.876 . . . . 0.0 109.595 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.87 32.04 0.51 Allowed 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 123.124 2.549 . . . . 0.0 113.787 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD13 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -124.44 119.28 26.13 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -67.65 96.78 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.326 2.017 . . . . 0.0 111.573 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.685 HD13 ' HG ' ' A' ' 50' ' ' LEU . 77.7 mt -68.09 104.05 1.68 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.363 0.665 . . . . 0.0 110.065 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -98.96 -10.67 22.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.836 0.854 . . . . 0.0 111.157 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.5 m -142.31 154.09 44.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.157 0.583 . . . . 0.0 111.031 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.538 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.79 -24.11 71.17 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.465 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.88 -48.4 70.11 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.16 0.984 . . . . 0.0 110.398 169.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.3 mt-10 -75.68 -32.54 60.18 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.747 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.517 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -73.44 -29.3 62.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.555 0.742 . . . . 0.0 111.896 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.1 ttpt -68.66 -23.96 64.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.491 1.116 . . . . 0.0 112.603 -172.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 62' ' ' GLU . 24.0 pt -73.64 -18.39 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.386 0.275 . . . . 0.0 111.216 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -95.6 117.77 31.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -73.28 -16.29 61.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -67.8 -18.71 64.94 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.082 0.553 . . . . 0.0 111.545 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -83.39 -75.27 0.33 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 174.11 38.48 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 116.706 -0.225 . . . . 0.0 112.84 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.33 -59.61 4.71 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.885 0.874 . . . . 0.0 112.065 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -54.74 -48.19 72.88 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.501 1.12 . . . . 0.0 111.505 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.407 HD11 HD11 ' A' ' 77' ' ' LEU . 1.5 tm? -63.15 -52.3 62.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.791 1.236 . . . . 0.0 110.235 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 63.3 m -64.3 -34.45 78.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.162 0.585 . . . . 0.0 111.737 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.97 -41.27 91.4 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.89 0.744 . . . . 0.0 111.055 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.6 mtp -61.51 -51.07 70.15 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 HD11 HD11 ' A' ' 73' ' ' LEU . 6.9 mp -58.28 -41.97 85.52 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.819 0.848 . . . . 0.0 112.092 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.538 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 29.5 t70 -73.01 -43.07 62.55 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.832 0.853 . . . . 0.0 110.851 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.4 mm-40 -65.6 -43.27 90.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -61.5 -43.43 98.87 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.217 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.91 -41.21 95.66 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.782 0.833 . . . . 0.0 109.42 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -61.99 -40.08 94.41 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.34 1.056 . . . . 0.0 110.743 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 53.8 mt-30 -70.67 -33.45 70.96 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.153 0.501 . . . . 0.0 109.834 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -70.24 -32.08 69.77 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.886 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.67 -34.84 58.21 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.96 0.504 . . . . 0.0 110.416 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 123.608 0.763 . . . . 0.0 111.824 -174.587 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -63.95 -22.46 66.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.475 0.71 . . . . 0.0 111.697 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.5 -53.1 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.145 0.43 . . . . 0.0 110.53 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -70.89 -33.11 70.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -67.56 -45.67 74.94 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 123.809 0.693 . . . . 0.0 111.125 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.492 HD23 HD22 ' A' ' 73' ' ' LEU . 95.2 mt -65.05 -32.01 73.51 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.501 0.32 . . . . 0.0 111.284 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.52 HG22 HH21 ' A' ' 29' ' ' ARG . 90.0 m -68.66 -50.26 52.57 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.44 0.696 . . . . 0.0 111.336 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 11.0 pt-20 -73.33 -39.63 65.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -172.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.422 ' HZ3' HD11 ' A' ' 77' ' ' LEU . 47.8 m0 -71.73 -31.12 66.36 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.979 0.512 . . . . 0.0 110.757 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.52 HH21 HG22 ' A' ' 26' ' ' THR . 22.0 ttp180 -60.18 -46.67 88.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.549 0.74 . . . . 0.0 110.388 169.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.62 -32.1 69.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.312 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 14.0 mm-40 -74.13 -30.94 62.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.186 0.594 . . . . 0.0 110.617 174.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -74.72 -21.95 59.09 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.596 0.359 . . . . 0.0 111.21 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.53 -42.52 14.34 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.49 0.716 . . . . 0.0 110.403 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -74.66 -48.82 24.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.773 0.829 . . . . 0.0 111.245 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -82.56 -3.0 55.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.912 0.885 . . . . 0.0 111.336 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.6 40.04 90.64 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.204 0.315 . . . . 0.0 113.342 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.452 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 36.6 mmt180 -87.01 -16.31 36.07 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.411 0.684 . . . . 0.0 111.526 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m80 71.12 -13.2 0.53 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.498 1.519 . . . . 0.0 113.826 173.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 p -73.74 5.44 4.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.914 0.886 . . . . 0.0 112.607 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -56.48 -30.1 62.53 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 123.593 0.757 . . . . 0.0 111.68 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.21 -39.76 71.55 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.753 0.821 . . . . 0.0 112.082 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.62 -36.55 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -70.13 -30.27 67.41 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.507 0.723 . . . . 0.0 110.981 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.94 -49.22 25.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.588 1.155 . . . . 0.0 111.431 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.9 -32.09 70.24 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.446 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.32 81.47 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.098 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.2 tp -59.48 -50.48 73.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.629 0.772 . . . . 0.0 110.92 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -60.26 -48.12 83.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 78.1 p -66.43 -32.73 74.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.7 -36.82 83.41 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.394 0.678 . . . . 0.0 110.397 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.7 mm-40 -69.86 -30.55 68.05 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 121.246 0.546 . . . . 0.0 110.731 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -91.9 -3.64 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.093 0.957 . . . . 0.0 111.353 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 7.0 t80 -105.02 100.39 24.26 Favored Pre-proline 0 N--CA 1.481 1.104 0 C-N-CA 123.799 0.84 . . . . 0.0 109.056 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -78.07 4.28 6.32 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.955 2.437 . . . . 0.0 113.787 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.484 HD22 ' HD2' ' A' ' 56' ' ' PRO . 2.9 tm? -82.08 118.26 71.39 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HD2' HD22 ' A' ' 55' ' ' LEU . 53.2 Cg_endo -67.43 94.01 0.36 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.839 2.359 . . . . 0.0 112.578 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.86 82.84 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 108.986 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -81.67 -22.01 37.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 122.108 -0.37 . . . . 0.0 110.457 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -111.64 140.33 46.35 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.467 1.107 . . . . 0.0 108.246 171.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.64 -12.47 84.19 Favored Glycine 0 C--O 1.221 -0.674 0 CA-C-O 119.813 -0.437 . . . . 0.0 113.432 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 87.9 tttt -67.33 -22.11 65.62 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.008 0.523 . . . . 0.0 110.231 171.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.53 ' O ' HG12 ' A' ' 65' ' ' ILE . 35.6 mt-10 -74.03 -15.18 61.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.351 0.66 . . . . 0.0 111.362 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.28 -15.24 62.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.928 0.491 . . . . 0.0 111.039 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -64.67 -37.31 87.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.633 0.773 . . . . 0.0 111.338 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 62' ' ' GLU . 10.2 pt -69.86 -9.23 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 120.552 0.215 . . . . 0.0 111.117 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -109.47 108.82 19.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 166.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -68.37 -12.64 61.43 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.825 0.85 . . . . 0.0 111.796 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -62.99 -31.92 73.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.98 0.912 . . . . 0.0 111.091 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.638 ' HB3' HD21 ' A' ' 73' ' ' LEU . 1.2 m-85 -80.39 -55.24 5.03 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.96 163.71 36.24 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.897 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.83 93.16 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.98 0.912 . . . . 0.0 112.99 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.16 -43.53 82.02 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.356 0.662 . . . . 0.0 111.082 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 69' ' ' PHE . 9.1 tt -72.27 -37.86 68.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 61' ' ' LYS . 14.6 t -59.46 -39.86 85.01 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.824 0.85 . . . . 0.0 110.372 174.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.06 -42.46 80.46 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.397 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.413 ' HA ' ' HE3' ' A' ' 76' ' ' MET . 2.9 mmt -57.61 -53.22 60.59 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.321 0.648 . . . . 0.0 110.752 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.422 HD11 ' HZ3' ' A' ' 28' ' ' TRP . 8.0 mp -60.01 -41.51 92.31 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.805 0.842 . . . . 0.0 111.886 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.74 -47.0 73.64 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.302 0.572 . . . . 0.0 110.945 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 49.5 mt-10 -68.76 -43.42 75.85 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.16 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -66.17 -35.73 81.22 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.416 0.687 . . . . 0.0 111.757 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.7 tm? -62.97 -44.24 96.6 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.31 -32.78 72.64 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.041 0.936 . . . . 0.0 111.181 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.5 mm-40 -75.55 -32.02 60.28 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.302 0.501 . . . . 0.0 110.101 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -65.71 -30.65 71.35 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.488 0.715 . . . . 0.0 110.502 173.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 73.5 mt -79.41 -51.84 8.86 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.683 0.393 . . . . 0.0 110.648 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.874 0 C-N-CA 123.978 0.911 . . . . 0.0 111.863 -171.676 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.1 mt . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.46 -21.3 66.63 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.802 0.841 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.64 -56.65 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.138 0.426 . . . . 0.0 109.986 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -62.28 -38.52 89.66 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 48.2 m0 -67.2 -47.97 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.143 0.577 . . . . 0.0 111.783 -177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD22 HD13 ' A' ' 77' ' ' LEU . 87.2 mt -64.08 -28.71 69.97 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.728 0.411 . . . . 0.0 111.227 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.4 m -72.63 -47.2 49.57 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.064 0.545 . . . . 0.0 111.503 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 11.6 pt-20 -72.83 -35.31 67.25 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.508 0.323 . . . . 0.0 111.281 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.442 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 41.3 m0 -74.71 -30.69 61.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.217 0.607 . . . . 0.0 110.491 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -61.55 -43.05 99.57 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.714 0.806 . . . . 0.0 109.961 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.28 -37.44 80.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.462 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 82.4 mt-10 -63.86 -40.35 96.37 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.582 0.706 . . . . 0.0 109.98 172.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HB1' ' HB3' ' A' ' 40' ' ' ARG . . . -68.7 -20.21 64.4 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.874 -0.517 . . . . 0.0 111.872 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.72 -35.71 22.31 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.395 0.678 . . . . 0.0 111.737 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 p -100.06 -56.29 2.41 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.332 0.653 . . . . 0.0 112.758 -171.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.1 -40.91 91.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.208 1.003 . . . . 0.0 110.504 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.07 35.83 4.66 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.873 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -70.33 -25.55 63.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.55 0.74 . . . . 0.0 109.91 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.2 m170 73.38 -18.72 0.36 Allowed 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 125.788 1.635 . . . . 0.0 113.285 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 p -75.31 11.16 1.28 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.435 1.094 . . . . 0.0 112.616 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HB3' ' HB1' ' A' ' 32' ' ' ALA . 28.0 ptt180 -59.56 -23.2 62.69 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.759 0.824 . . . . 0.0 112.033 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -75.61 -41.96 53.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.565 0.746 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -77.15 -35.34 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 117.763 0.256 . . . . 0.0 110.933 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -64.67 -31.9 73.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.105 0.562 . . . . 0.0 109.869 172.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.13 -53.19 32.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.189 0.596 . . . . 0.0 110.298 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -63.65 -41.63 98.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.022 0.529 . . . . 0.0 111.818 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.4 91.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.59 0.756 . . . . 0.0 110.549 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.47 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 53.8 tp -67.36 -51.05 56.95 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.948 0.899 . . . . 0.0 111.278 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 24.6 mmt180 -63.92 -44.89 91.55 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.004 0.922 . . . . 0.0 110.164 -175.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 90.5 p -62.68 -40.54 97.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.699 ' HG ' HD13 ' A' ' 57' ' ' LEU . 5.3 tt -60.23 -41.85 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.056 0.942 . . . . 0.0 109.593 177.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.47 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.8 mt-30 -70.57 -21.41 62.69 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.526 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 48' ' ' ARG . 62.8 mtp180 -102.43 -5.79 23.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.299 0.64 . . . . 0.0 111.001 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.4 t80 -97.53 112.33 60.98 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.798 0.839 . . . . 0.0 108.765 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.63 33.72 0.47 Allowed 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 123.014 2.476 . . . . 0.0 113.001 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.85 145.7 32.92 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.862 0.865 . . . . 0.0 108.98 172.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -74.17 92.24 0.92 Allowed 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.855 2.37 . . . . 0.0 112.152 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.699 HD13 ' HG ' ' A' ' 50' ' ' LEU . 42.2 mt -89.52 72.84 7.86 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -97.64 -40.66 8.5 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 0.0 110.058 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -95.43 149.71 21.09 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.327 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.472 ' O ' ' SG ' ' A' ' 74' ' ' CYS . . . -60.89 -32.47 79.81 Favored Glycine 0 C--N 1.351 1.396 0 O-C-N 123.426 0.454 . . . . 0.0 112.578 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -49.5 -37.58 27.01 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.501 1.121 . . . . 0.0 111.868 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.5 mm-40 -83.8 -37.95 21.9 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.748 0.819 . . . . 0.0 111.068 -177.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.41 64.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.937 0.495 . . . . 0.0 111.59 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 35.1 ttpt -75.02 -19.7 59.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.298 1.039 . . . . 0.0 112.33 -175.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.0 pt -71.91 -20.05 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -94.12 135.64 35.27 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -85.22 -9.28 57.96 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.809 0.844 . . . . 0.0 110.833 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -58.56 -41.77 86.41 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.798 0.809 . . . . 0.0 109.351 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.88 -73.06 0.31 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.869 -1.514 . . . . 0.0 107.544 166.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.12 173.47 47.53 Favored Glycine 0 C--N 1.341 0.829 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -166.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.46 -41.31 84.87 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -76.8 -36.53 56.89 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.797 0.439 . . . . 0.0 111.97 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.29 -49.5 73.79 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 44.0 t -64.78 -26.13 68.22 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.764 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -62.17 -44.24 97.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.9 mmm -57.13 -48.38 78.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.818 0.447 . . . . 0.0 110.613 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 HD13 HD22 ' A' ' 25' ' ' LEU . 10.5 mp -62.69 -42.95 99.9 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.428 0.691 . . . . 0.0 112.693 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.3 -40.42 62.27 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.54 -172.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -59.35 -49.82 76.36 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.204 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.442 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.9 mmmt -63.86 -41.56 97.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.404 0.682 . . . . 0.0 112.079 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.2 tm? -58.88 -46.31 88.11 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -64.74 -34.96 79.57 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.591 1.156 . . . . 0.0 111.741 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -72.33 -34.39 68.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.014 0.526 . . . . 0.0 110.093 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -68.2 -38.56 82.11 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.222 1.009 . . . . 0.0 109.396 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 91.8 mt -66.84 -47.42 72.04 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.94 0.896 . . . . 0.0 110.724 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.14 0 C-N-CA 123.907 0.883 . . . . 0.0 112.12 -175.568 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.419 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 4.7 m-30 -60.05 -48.58 81.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.52 ' HB ' HD21 ' A' ' 50' ' ' LEU . 5.8 p -64.26 -46.88 92.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 123.347 0.404 . . . . 0.0 111.403 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.51 -29.9 69.44 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.43 0.292 . . . . 0.0 110.86 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.451 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 36.6 m0 -69.03 -47.06 66.35 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.555 0.534 . . . . 0.0 111.035 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.83 -28.48 69.88 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.316 0.246 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.5 m -71.63 -51.49 22.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.378 0.671 . . . . 0.0 110.783 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.8 pt-20 -72.33 -35.2 68.53 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.861 0.464 . . . . 0.0 111.192 -172.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -72.8 -35.34 67.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.042 0.537 . . . . 0.0 110.245 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -67.15 -35.45 79.73 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.152 0.581 . . . . 0.0 110.632 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.87 -35.63 67.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.461 0.704 . . . . 0.0 110.605 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.27 -29.47 65.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.603 0.761 . . . . 0.0 109.758 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' HB3' ' HB2' ' A' ' 40' ' ' ARG . . . -74.92 -23.08 58.29 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.932 0.493 . . . . 0.0 111.414 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.29 -43.9 20.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.42 0.688 . . . . 0.0 110.08 172.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -77.52 -61.84 1.86 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 111.029 -174.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -73.52 -56.77 4.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.893 0.877 . . . . 0.0 109.762 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.99 73.51 0.56 Allowed Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.214 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.417 ' H ' ' HA ' ' A' ' 32' ' ' ALA . 39.8 mmt180 -92.62 146.32 23.75 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 175.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.37 -33.8 69.88 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.607 0.718 . . . . 0.0 109.89 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 p -76.51 10.09 2.32 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 114.658 -1.155 . . . . 0.0 113.589 -174.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 51.9 ttp180 -55.54 -39.04 70.06 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.64 0.776 . . . . 0.0 112.233 179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.56 -42.63 82.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.041 0.937 . . . . 0.0 111.398 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.456 HG12 HD23 ' A' ' 73' ' ' LEU . 7.9 p -76.1 -29.85 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.682 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.919 0.488 . . . . 0.0 109.946 172.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.34 -56.61 13.23 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.223 1.009 . . . . 0.0 111.286 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -68.84 -30.34 68.86 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.34 0.4 . . . . 0.0 111.547 -173.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.52 69.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.595 0.559 . . . . 0.0 110.725 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 46.0 tp -61.87 -49.39 76.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.192 0.597 . . . . 0.0 110.513 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -37.71 78.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.548 0.739 . . . . 0.0 109.669 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.616 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HG ' HD13 ' A' ' 57' ' ' LEU . 5.3 tt -70.31 -37.01 74.66 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.503 0.721 . . . . 0.0 109.54 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.7 mm100 -61.04 -45.31 95.3 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.663 0.785 . . . . 0.0 111.276 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -82.33 -20.71 36.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.357 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 17.2 t80 -85.36 111.84 39.6 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' TYR . 7.7 Cg_exo -73.12 -23.45 18.14 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 123.078 2.518 . . . . 0.0 113.223 -172.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 2.1 tm? -65.88 115.91 27.37 Favored Pre-proline 0 CA--C 1.551 0.991 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -68.38 102.41 0.82 Allowed 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.928 2.419 . . . . 0.0 111.497 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.531 HD13 ' HG ' ' A' ' 50' ' ' LEU . 85.9 mt -72.22 101.01 2.72 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.359 0.664 . . . . 0.0 109.808 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -103.2 -39.65 6.76 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.314 1.046 . . . . 0.0 110.004 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -110.24 145.98 36.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.955 0.902 . . . . 0.0 109.272 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.663 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.82 -19.32 67.33 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 116.693 -0.23 . . . . 0.0 112.92 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -51.27 -48.25 62.25 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.662 1.185 . . . . 0.0 110.732 165.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 mt-10 -75.41 -38.27 59.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.738 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -69.53 -36.93 76.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.313 0.645 . . . . 0.0 112.384 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 6.4 ttpm? -71.31 -22.63 61.91 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.417 0.687 . . . . 0.0 112.271 -171.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.3 pt -63.65 -27.17 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.801 0.441 . . . . 0.0 111.618 -174.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.3 143.33 32.32 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.668 0.387 . . . . 0.0 110.503 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -86.73 36.54 0.72 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.711 1.204 . . . . 0.0 110.538 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -132.73 -30.37 1.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.454 1.102 . . . . 0.0 109.408 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.88 -78.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.3 -177.93 50.52 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-N 116.285 -0.416 . . . . 0.0 113.123 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -66.89 -45.98 76.34 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.557 0.743 . . . . 0.0 112.71 -172.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -61.43 -48.63 80.3 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.367 0.667 . . . . 0.0 111.201 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.456 HD23 HG12 ' A' ' 42' ' ' VAL . 2.2 tm? -62.75 -52.08 64.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.357 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 30.9 t -59.46 -33.61 71.51 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.141 0.901 . . . . 0.0 111.751 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.24 -44.73 87.27 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.394 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.5 mtp -70.04 -40.05 75.36 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.87 -51.46 22.21 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.675 1.19 . . . . 0.0 111.903 -172.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.663 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 37.8 t70 -75.93 -34.03 59.87 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.111 0.964 . . . . 0.0 112.827 -175.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' HG2' HE21 ' A' ' 83' ' ' GLN . 30.7 tt0 -66.95 -44.63 80.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.857 0.463 . . . . 0.0 110.015 176.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -55.36 -46.82 76.45 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.663 171.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . 23.7 tp -53.31 -45.67 69.1 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.808 0.843 . . . . 0.0 110.648 175.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.88 -44.28 93.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.414 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.518 HE21 ' HG2' ' A' ' 79' ' ' GLU . 78.5 mt-30 -73.54 -33.45 64.72 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.896 0.478 . . . . 0.0 110.285 -174.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.78 -48.86 67.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.659 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.7 -18.33 48.24 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.65 0.78 . . . . 0.0 111.655 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.056 0 C-N-CA 122.859 0.464 . . . . 0.0 109.864 174.777 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -55.71 -38.99 70.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.081 1.352 . . . . 0.0 111.556 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.03 -40.1 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.267 0.627 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -65.07 -48.99 71.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.855 0.862 . . . . 0.0 109.242 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -67.86 -43.58 79.11 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 124.05 0.844 . . . . 0.0 111.04 -173.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD22 HD11 ' A' ' 73' ' ' LEU . 95.4 mt -67.7 -30.19 69.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.85 0.46 . . . . 0.0 111.749 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -73.35 -51.24 18.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.645 0.378 . . . . 0.0 111.034 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.86 -37.14 81.46 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.493 0.317 . . . . 0.0 110.504 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -69.71 -36.39 75.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.095 0.558 . . . . 0.0 110.701 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.49 -39.75 95.27 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.408 0.683 . . . . 0.0 110.324 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.64 -42.13 78.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.003 0.921 . . . . 0.0 110.769 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 24.4 mm-40 -61.94 -46.08 90.88 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 123.196 0.598 . . . . 0.0 109.925 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.92 63.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.364 0.665 . . . . 0.0 111.495 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.96 42.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.005 0.522 . . . . 0.0 111.073 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -77.29 -47.22 20.62 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.384 0.674 . . . . 0.0 111.713 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HD3' ' O ' ' A' ' 31' ' ' GLU . 3.3 mpt_? -77.15 -18.15 58.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.677 1.191 . . . . 0.0 110.461 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.73 43.37 7.79 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.287 0.367 . . . . 0.0 113.233 175.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 132.59 38.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.722 0.809 . . . . 0.0 109.834 172.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -66.42 -20.16 65.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.734 0.814 . . . . 0.0 111.004 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 p -64.16 -8.23 11.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.328 1.051 . . . . 0.0 113.292 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -50.58 -41.2 54.2 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.024 0.529 . . . . 0.0 111.41 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.54 -34.62 70.17 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.43 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 7.9 p -75.42 -32.16 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.718 0.69 . . . . 0.0 110.173 179.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -68.04 -37.18 81.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.979 0.512 . . . . 0.0 109.913 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -52.4 34.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.845 1.258 . . . . 0.0 110.876 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 18.2 ptpt -71.07 -35.26 71.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.734 0.413 . . . . 0.0 110.757 -174.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.64 89.1 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 123.174 0.59 . . . . 0.0 110.016 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.8 tp -59.6 -53.44 58.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.325 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -60.08 -43.47 95.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.896 0.878 . . . . 0.0 111.644 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 66.3 m -62.15 -38.61 89.64 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.806 0.691 . . . . 0.0 110.908 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.419 ' HG ' HD12 ' A' ' 57' ' ' LEU . 4.8 tt -67.15 -42.99 83.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.969 0.908 . . . . 0.0 109.888 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 26.1 mm-40 -60.37 -38.14 82.95 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.193 0.597 . . . . 0.0 111.386 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -92.21 -15.13 27.96 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 49' ' ' SER . 17.3 t80 -72.98 127.53 89.34 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 122.669 0.388 . . . . 0.0 110.056 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.63 31.68 0.48 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 123.168 2.579 . . . . 0.0 114.583 -175.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -144.31 125.15 7.73 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -69.67 103.65 1.18 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.762 2.308 . . . . 0.0 111.485 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 63' ' ' ALA . 38.8 mt -72.88 99.43 2.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.351 0.596 . . . . 0.0 109.675 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -118.07 15.02 14.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 110.117 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -162.05 147.66 13.15 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.215 1.006 . . . . 0.0 109.253 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.502 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -67.29 -18.14 69.06 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.361 0.413 . . . . 0.0 112.951 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.31 -45.12 80.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.653 0.74 . . . . 0.0 110.288 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -83.77 -23.03 31.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.106 -174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.59 ' HB1' ' SG ' ' A' ' 74' ' ' CYS . . . -86.37 -33.67 20.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.212 0.605 . . . . 0.0 112.026 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -71.22 -24.05 62.13 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.888 0.475 . . . . 0.0 112.134 -174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 pt -63.86 -17.72 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 122.316 0.246 . . . . 0.0 111.034 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.67 121.4 38.47 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 170.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -82.48 -4.76 58.03 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -68.99 -27.37 65.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -79.35 -72.71 0.38 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 167.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.23 -169.02 49.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.473 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.32 -60.27 3.39 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.992 0.517 . . . . 0.0 111.723 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -57.48 -49.68 75.5 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.028 0.931 . . . . 0.0 111.289 -170.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.427 HD11 HD22 ' A' ' 25' ' ' LEU . 1.7 tm? -63.06 -55.67 23.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.85 -176.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.59 ' SG ' ' HB1' ' A' ' 63' ' ' ALA . 53.9 t -72.79 -29.29 63.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.926 -168.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -68.33 -44.55 75.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.285 0.634 . . . . 0.0 110.424 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtp -67.75 -38.43 83.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.475 0.31 . . . . 0.0 110.519 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -64.7 -35.17 80.17 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.458 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.502 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 33.6 t70 -75.1 -33.96 61.67 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.278 1.031 . . . . 0.0 111.169 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.27 -39.96 86.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.333 0.653 . . . . 0.0 110.617 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.84 -47.12 82.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.332 172.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.04 -37.31 76.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.582 0.753 . . . . 0.0 109.815 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -69.85 -41.51 74.79 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.736 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -31.81 65.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -175.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.479 ' HD1' HD21 ' A' ' 85' ' ' LEU . 51.8 t-80 -60.99 -52.38 65.25 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.79 172.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.479 HD21 ' HD1' ' A' ' 84' ' ' HIS . 56.4 mt -71.82 -35.49 69.95 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.842 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 122.828 0.451 . . . . 0.0 110.889 -174.267 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 119.69 -0.195 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -72.11 -6.05 18.32 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.124 2.55 . . . . 0.0 112.98 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.64 115.94 40.59 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 123.465 0.706 . . . . 0.0 109.146 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -81.09 21.58 0.88 Allowed 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.242 2.628 . . . . 0.0 112.676 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.59 124.73 22.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.2 m 70.1 106.18 0.03 OUTLIER Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.341 1.456 . . . . 0.0 110.172 -168.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -57.05 90.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.385 2.461 0 C-N-CA 122.75 2.3 . . . . 0.0 111.333 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -89.88 116.15 65.65 Favored Pre-proline 0 CA--C 1.544 0.715 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HG2' HD21 ' A' ' 50' ' ' LEU . 79.2 Cg_exo -45.78 159.0 0.24 Allowed 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 124.005 3.137 . . . . 0.0 114.743 176.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.48 -21.06 66.6 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 114.801 -1.09 . . . . 0.0 109.022 170.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 16.9 m-30 -62.67 -34.64 77.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.033 1.333 . . . . 0.0 111.859 172.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -60.42 -54.61 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.037 0.535 . . . . 0.0 110.332 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -62.89 -35.0 78.6 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.701 0.626 . . . . 0.0 111.19 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -65.44 -46.66 79.05 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.141 0.276 . . . . 0.0 111.357 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.441 HD23 HD12 ' A' ' 73' ' ' LEU . 93.5 mt -66.02 -30.48 71.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.871 0.468 . . . . 0.0 111.237 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.2 m -71.75 -48.94 43.43 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.393 0.677 . . . . 0.0 110.529 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.9 -35.3 67.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.829 0.452 . . . . 0.0 111.367 -174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -69.25 -43.5 73.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.766 0.426 . . . . 0.0 110.442 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' NH1' ' HB2' ' A' ' 44' ' ' GLN . 43.1 ttt85 -66.11 -36.66 83.76 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.074 0.549 . . . . 0.0 111.139 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.16 -48.72 67.16 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.477 0.711 . . . . 0.0 110.215 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -58.92 -40.96 86.15 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.995 172.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -27.22 67.45 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.583 0.753 . . . . 0.0 112.173 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.18 -31.24 58.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.245 0.618 . . . . 0.0 110.479 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -84.64 -34.86 22.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.637 0.775 . . . . 0.0 111.484 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -92.72 -25.1 18.36 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.202 1.001 . . . . 0.0 111.483 -173.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.36 33.4 17.12 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.994 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -77.92 134.17 37.95 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -74.51 -14.73 60.85 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.457 0.703 . . . . 0.0 111.729 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.0 p -73.86 -8.4 55.92 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.713 0.805 . . . . 0.0 112.021 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 -51.82 -36.4 47.81 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.706 1.203 . . . . 0.0 112.259 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -73.57 -40.49 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.343 1.057 . . . . 0.0 111.469 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG21 HD21 ' A' ' 73' ' ' LEU . 9.4 p -73.99 -32.6 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.636 0.255 . . . . 0.0 110.403 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -69.72 -30.92 68.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 110.271 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.1 tp60 -68.05 -57.91 5.36 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.88 0.472 . . . . 0.0 111.074 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -62.41 -29.12 70.26 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.847 0.459 . . . . 0.0 111.752 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -49.75 50.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.647 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 57.2 tp -62.76 -42.1 99.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.318 0.647 . . . . 0.0 111.279 -177.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 31.7 mmm180 -67.64 -39.16 84.64 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.511 0.725 . . . . 0.0 110.166 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -59.55 -42.99 93.62 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.661 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD21 ' HG2' ' A' ' 19' ' ' PRO . 2.3 tt -69.71 -38.77 77.06 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.585 0.754 . . . . 0.0 109.906 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.6 mt-30 -67.31 -29.69 69.33 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.387 0.675 . . . . 0.0 111.647 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -94.22 -11.48 30.2 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.481 0.313 . . . . 0.0 111.432 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -94.39 119.44 66.44 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.164 0.585 . . . . 0.0 109.647 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.96 21.0 0.99 Allowed 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 123.235 2.624 . . . . 0.0 114.233 -173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD11 HD22 ' A' ' 57' ' ' LEU . 2.7 tm? -114.86 123.37 32.09 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.38 100.03 1.19 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.386 2.058 . . . . 0.0 111.561 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD22 HD11 ' A' ' 55' ' ' LEU . 54.8 mt -63.15 111.53 2.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.09 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -96.48 -27.11 15.04 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.428 0.691 . . . . 0.0 109.906 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -126.77 156.9 40.47 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.295 1.038 . . . . 0.0 110.315 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.85 -22.02 73.57 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.299 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.11 -40.38 89.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.054 0.941 . . . . 0.0 110.506 172.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.62 -26.8 58.11 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.018 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -18.42 45.42 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.161 0.585 . . . . 0.0 111.287 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -65.18 -37.03 86.08 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.278 1.031 . . . . 0.0 111.446 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 pt -64.55 -25.97 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.254 0.621 . . . . 0.0 111.202 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt -87.72 103.08 15.27 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.214 1.006 . . . . 0.0 109.361 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.54 -19.6 63.7 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.182 0.993 . . . . 0.0 111.373 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.05 -36.66 82.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.621 0.768 . . . . 0.0 110.391 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -68.24 -66.56 0.55 Allowed 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.548 0.739 . . . . 0.0 109.322 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.44 155.42 31.89 Favored Glycine 0 C--N 1.343 0.962 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -171.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -60.61 -34.46 74.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -62.27 -46.11 90.26 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.152 0.581 . . . . 0.0 109.569 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.441 HD12 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -64.65 -49.91 69.16 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.386 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 35.4 m -58.41 -39.76 80.58 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.195 0.998 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.47 -45.97 81.62 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.769 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.504 ' HA ' ' HE3' ' A' ' 76' ' ' MET . 5.0 mmt -61.32 -48.32 81.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.145 0.578 . . . . 0.0 110.744 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.32 -45.4 80.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.093 0.957 . . . . 0.0 112.305 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.58 -37.83 70.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.522 0.514 . . . . 0.0 110.834 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 23.1 mm-40 -62.74 -43.19 99.45 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.164 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -66.17 -42.65 88.65 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 123.144 0.577 . . . . 0.0 110.641 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.5 tm? -56.33 -42.85 78.33 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.39 -48.47 81.62 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.724 -1.126 . . . . 0.0 111.336 174.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 97.6 mt-30 -65.52 -41.5 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.103 0.561 . . . . 0.0 110.968 -174.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.52 -50.77 70.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.93 0.892 . . . . 0.0 110.564 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 58.5 mt -64.72 -32.28 73.89 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.951 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.42 -35.59 60.95 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.66 0.784 . . . . 0.0 112.016 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -102.57 -12.14 17.98 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.306 0.643 . . . . 0.0 112.384 -172.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.54 -58.68 3.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.27 -152.14 23.24 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 119.424 -0.653 . . . . 0.0 112.849 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 124.874 1.27 . . . . 0.0 110.926 -179.113 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.416 HH11 ' HB3' ' A' ' 13' ' ' LEU . 3.9 tmt_? . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.46 122.6 9.08 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.795 2.33 . . . . 0.0 111.049 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' HB3' HH11 ' A' ' 11' ' ' ARG . 1.5 pp -149.77 152.44 34.61 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 123.579 0.752 . . . . 0.0 110.28 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.8 94.55 0.71 Allowed 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.349 2.032 . . . . 0.0 111.589 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -90.17 -20.0 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.805 0.842 . . . . 0.0 110.702 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.5 t 61.95 78.94 0.28 Allowed Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 124.718 1.207 . . . . 0.0 110.901 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -81.0 67.09 8.76 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.2 2.6 . . . . 0.0 111.501 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -128.38 78.68 75.31 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 124.244 1.018 . . . . 0.0 109.465 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.1 126.93 8.13 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.673 2.248 . . . . 0.0 111.214 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.71 -39.75 84.33 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.917 0.887 . . . . 0.0 111.764 -169.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -69.37 -36.51 76.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.496 0.718 . . . . 0.0 111.685 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.75 -52.12 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.732 0.413 . . . . 0.0 110.537 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -59.06 -40.01 83.84 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 123.546 0.528 . . . . 0.0 111.059 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -63.66 -49.32 73.65 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.524 0.515 . . . . 0.0 111.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.51 -28.98 69.58 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.717 0.235 . . . . 0.0 111.386 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 m -69.47 -52.48 26.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.508 0.723 . . . . 0.0 110.866 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.79 -41.41 65.02 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -65.87 -34.62 78.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.116 0.566 . . . . 0.0 110.431 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -61.21 -43.59 98.63 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.503 0.721 . . . . 0.0 110.753 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.86 -30.31 61.3 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.223 1.009 . . . . 0.0 111.264 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.37 -36.29 58.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.161 0.984 . . . . 0.0 109.393 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -75.46 -22.09 57.58 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.615 0.766 . . . . 0.0 110.872 175.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.34 64.1 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 170.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t -69.86 -32.79 71.36 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.137 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.577 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -92.97 -5.11 51.43 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 0.0 110.817 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.15 28.89 74.03 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 113.907 0.323 . . . . 0.0 113.907 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.577 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 30.3 mmm180 -78.01 150.67 33.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.173 0.989 . . . . 0.0 111.723 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -71.05 -19.93 62.43 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 p -71.07 -13.1 61.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.141 0.576 . . . . 0.0 112.498 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -54.32 -40.43 67.97 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.033 0.379 . . . . 0.0 110.63 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -63.44 -45.7 89.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.876 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG12 HD21 ' A' ' 73' ' ' LEU . 9.7 p -73.79 -32.11 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.075 0.15 . . . . 0.0 111.075 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -71.09 -32.46 69.1 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.933 0.493 . . . . 0.0 110.293 173.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.22 -55.0 13.83 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.644 0.778 . . . . 0.0 110.481 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.69 -32.11 71.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.009 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -45.51 80.92 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.194 0.598 . . . . 0.0 110.362 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 62.6 tp -60.34 -53.92 51.81 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.082 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.78 -30.45 69.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 111.127 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t -68.19 -38.1 81.64 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.131 175.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 57' ' ' LEU . 5.4 tt -67.77 -39.31 84.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.497 0.719 . . . . 0.0 109.238 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 29.3 mm-40 -61.37 -42.8 99.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.524 0.73 . . . . 0.0 111.349 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -81.95 -22.6 36.6 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.639 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.3 t80 -72.48 128.03 89.19 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.503 0.721 . . . . 0.0 110.526 -171.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -72.41 -15.13 28.06 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.638 2.225 . . . . 0.0 113.292 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 24.0 tp -92.98 132.52 30.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 123.253 0.621 . . . . 0.0 109.345 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.22 99.78 1.2 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.364 2.042 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD11 ' HG ' ' A' ' 50' ' ' LEU . 92.4 mt -66.6 93.03 0.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.077 -175.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.63 -42.81 40.84 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.826 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.0 m -120.79 155.64 33.58 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.397 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.724 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -68.88 -18.56 72.64 Favored Glycine 0 C--N 1.346 1.084 0 O-C-N 123.349 0.406 . . . . 0.0 112.367 172.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.04 -43.8 74.08 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.14 0.976 . . . . 0.0 110.252 165.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -78.62 -29.97 46.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.923 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HB1' ' HA2' ' A' ' 60' ' ' GLY . . . -80.67 -23.54 39.55 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.337 0.655 . . . . 0.0 112.581 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 38.6 ttpt -70.88 -22.34 62.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.24 0.616 . . . . 0.0 112.022 -173.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -66.57 -20.06 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 122.939 0.495 . . . . 0.0 111.421 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.16 131.52 37.34 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.289 0.635 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -78.83 -20.09 50.49 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.672 0.789 . . . . 0.0 111.332 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.64 -35.28 79.1 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.239 0.542 . . . . 0.0 110.065 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.421 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 15.8 m-85 -75.54 -76.53 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.5 174.55 40.17 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.385 -172.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.92 -57.4 12.79 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.928 0.891 . . . . 0.0 112.728 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -71.95 -28.92 63.77 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.593 0.757 . . . . 0.0 112.479 -172.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.472 HD21 HG12 ' A' ' 42' ' ' VAL . 2.0 tm? -62.29 -53.39 55.82 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.476 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 82.5 m -68.11 -25.19 65.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.484 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.0 mmm180 -60.35 -51.06 71.11 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.654 0.382 . . . . 0.0 110.264 169.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.42 -43.04 86.82 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.506 0.67 . . . . 0.0 109.991 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.68 -50.53 64.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.315 1.446 . . . . 0.0 111.796 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.724 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 26.1 t70 -74.93 -42.5 57.61 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.152 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.1 mm-40 -59.68 -41.0 89.69 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -56.98 -52.06 66.73 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.034 0.534 . . . . 0.0 111.15 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -54.91 -41.34 70.83 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.361 0.665 . . . . 0.0 111.413 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -67.26 -38.65 85.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.619 1.167 . . . . 0.0 110.247 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 48.7 mt-30 -73.85 -34.96 64.73 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.454 0.702 . . . . 0.0 109.76 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.514 ' HD2' ' HB2' ' A' ' 90' ' ' ASP . 58.0 t-80 -65.19 -42.61 93.42 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.125 0.97 . . . . 0.0 110.452 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -78.35 -44.95 23.78 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.22 0.608 . . . . 0.0 111.446 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.29 71.92 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.085 0.554 . . . . 0.0 111.374 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.9 t -76.54 -28.67 56.4 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.528 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.55 33.01 39.96 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 84' ' ' HIS . . . 174.2 -178.84 45.89 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 115.147 -0.527 . . . . 0.0 112.085 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' HB2' ' HD2' ' A' ' 84' ' ' HIS . 18.6 t70 . . . . . 0 C--O 1.253 1.281 0 CA-C-O 118.304 -0.855 . . . . 0.0 108.872 -174.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -80.96 144.14 14.87 Favored 'Trans proline' 0 C--N 1.369 1.632 0 C-N-CA 122.293 1.996 . . . . 0.0 111.41 166.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.19 104.61 23.76 Favored Pre-proline 0 N--CA 1.48 1.069 0 C-N-CA 123.648 0.779 . . . . 0.0 109.529 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' SG ' ' A' ' 16' ' ' CYS . 6.3 Cg_exo -80.8 -161.33 0.15 Allowed 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 123.507 2.805 . . . . 0.0 111.744 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.38 10.27 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 123.414 0.686 . . . . 0.0 109.99 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 29.5 p -63.22 144.2 97.49 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 123.83 0.852 . . . . 0.0 111.906 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -75.78 -177.13 3.39 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.769 2.312 . . . . 0.0 111.29 173.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -127.57 77.1 76.41 Favored Pre-proline 0 N--CA 1.48 1.069 0 C-N-CA 122.681 0.392 . . . . 0.0 110.046 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -87.15 -6.38 7.35 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 123.082 2.521 . . . . 0.0 112.648 170.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mp 66.1 12.02 8.21 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.496 1.118 . . . . 0.0 113.004 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.472 0.578 . . . . 0.0 111.348 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.1 -49.88 80.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.1 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -73.94 -32.51 63.53 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.865 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.435 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 25.0 m0 -67.58 -43.8 79.68 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.684 0.615 . . . . 0.0 110.463 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.18 -30.56 71.48 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.421 0.288 . . . . 0.0 111.454 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.9 m -75.45 -47.32 27.77 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.77 0.428 . . . . 0.0 111.278 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.5 pt-20 -73.67 -31.31 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.042 0.537 . . . . 0.0 111.144 -174.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -79.22 -29.79 42.93 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.813 0.445 . . . . 0.0 110.525 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.86 -40.99 90.47 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.024 0.53 . . . . 0.0 109.806 166.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.51 -40.01 81.01 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.064 0.945 . . . . 0.0 110.398 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.573 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mm-40 -60.94 -37.81 83.63 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.263 1.025 . . . . 0.0 110.984 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -71.13 -36.63 72.17 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.444 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.35 61.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.366 0.667 . . . . 0.0 111.393 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -84.54 -42.8 15.13 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.889 0.876 . . . . 0.0 110.817 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -105.1 7.49 33.86 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.477 0.711 . . . . 0.0 112.463 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.53 30.13 75.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 123.539 0.524 . . . . 0.0 113.222 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.573 ' NH1' ' HB3' ' A' ' 31' ' ' GLU . 58.7 mtt180 -72.92 134.84 44.94 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.335 0.654 . . . . 0.0 110.324 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -64.19 -20.38 65.98 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.952 0.901 . . . . 0.0 111.273 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.9 p -64.17 -5.02 4.15 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.722 1.209 . . . . 0.0 113.444 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -49.93 -45.13 50.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.948 0.899 . . . . 0.0 111.391 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -72.11 -39.43 68.89 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.656 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.39 -31.47 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 117.597 0.181 . . . . 0.0 110.741 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.26 -31.2 62.46 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.541 0.336 . . . . 0.0 110.379 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -69.87 -49.79 48.81 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.477 0.485 . . . . 0.0 110.67 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.07 -30.47 68.8 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.228 0.33 . . . . 0.0 110.839 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.35 -45.21 60.87 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.254 0.621 . . . . 0.0 110.457 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 tp -63.78 -56.96 11.6 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.137 0.575 . . . . 0.0 110.175 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.54 -38.14 77.16 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.168 0.987 . . . . 0.0 111.224 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.1 t -59.04 -49.14 79.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.83 -35.64 80.59 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.349 1.059 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 21.9 mm-40 -67.77 -34.69 77.31 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.241 0.616 . . . . 0.0 111.932 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -94.21 -14.44 25.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.365 0.266 . . . . 0.0 111.299 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.6 t80 -77.31 119.72 78.6 Favored Pre-proline 0 N--CA 1.476 0.843 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -173.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.36 -2.3 12.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 122.941 2.428 . . . . 0.0 113.384 -172.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.17 142.81 33.9 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.37 -37.3 24.07 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 123.008 2.472 . . . . 0.0 113.052 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.1 mt 54.97 70.4 0.63 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.652 1.181 . . . . 0.0 110.597 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -84.94 -33.39 22.68 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.174 0.511 . . . . 0.0 110.772 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -103.41 152.24 21.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.62 -23.11 72.07 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -63.07 -37.82 88.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.523 1.129 . . . . 0.0 110.434 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.48 ' O ' HG12 ' A' ' 65' ' ' ILE . 49.5 mt-10 -72.75 -39.07 67.13 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.135 0.574 . . . . 0.0 110.673 175.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.74 -14.99 63.38 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.486 0.714 . . . . 0.0 111.702 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.567 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -69.33 -29.94 67.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.185 0.994 . . . . 0.0 112.059 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.0 pt -70.17 -8.53 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.72 114.36 28.54 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 123.184 0.594 . . . . 0.0 109.831 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -72.44 -17.5 61.78 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.822 0.849 . . . . 0.0 110.727 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -59.36 -33.05 70.69 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.478 0.711 . . . . 0.0 111.463 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.43 -70.8 0.3 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 172.02 18.29 Favored Glycine 0 N--CA 1.467 0.711 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.202 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.567 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 21.0 t70 -62.23 -60.76 3.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.921 0.488 . . . . 0.0 111.823 -175.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' A' ' 76' ' ' MET . 96.4 mtt180 -65.39 -33.27 75.56 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.835 0.854 . . . . 0.0 111.228 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.4 HD12 HD13 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -63.13 -49.91 72.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.142 0.977 . . . . 0.0 109.607 179.468 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 76.2 m -61.39 -32.19 72.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -68.62 -40.81 80.18 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.757 0.661 . . . . 0.0 110.762 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 87.8 mtp -58.96 -48.21 82.33 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.702 0.401 . . . . 0.0 110.393 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD13 HD12 ' A' ' 73' ' ' LEU . 10.1 mp -68.36 -38.33 81.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.591 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.04 -49.89 58.64 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.224 0.61 . . . . 0.0 111.143 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.59 -50.83 69.72 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 124.086 0.867 . . . . 0.0 110.252 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -55.82 -45.54 78.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.182 0.593 . . . . 0.0 111.392 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.9 tm? -56.84 -49.0 76.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.549 0.74 . . . . 0.0 109.741 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.21 -41.28 92.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.43 1.092 . . . . 0.0 111.543 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.89 -29.18 58.37 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.648 0.779 . . . . 0.0 110.217 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.42 -33.96 67.5 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.996 0.918 . . . . 0.0 110.352 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 86.6 mt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.059 0.544 . . . . 0.0 110.085 176.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.42 42.89 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.348 0.659 . . . . 0.0 111.357 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -87.23 -28.4 22.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.698 0.799 . . . . 0.0 111.334 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.17 -56.5 2.84 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-N 116.597 -0.274 . . . . 0.0 112.79 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.09 -65.2 2.24 Favored Glycine 0 C--N 1.343 0.942 0 O-C-N 123.711 0.3 . . . . 0.0 113.449 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.482 1.172 0 C-N-CA 123.378 0.671 . . . . 0.0 109.949 -177.789 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.84 138.98 55.29 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 122.137 1.891 . . . . 0.0 110.907 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.68 123.58 79.88 Favored Pre-proline 0 CA--C 1.55 0.96 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -67.67 79.97 0.48 Allowed 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.654 2.236 . . . . 0.0 111.774 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 p -132.87 77.15 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 122.915 1.341 . . . . 0.0 107.983 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -146.4 152.43 46.05 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.079 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -73.51 6.63 2.63 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 122.639 2.226 . . . . 0.0 112.861 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 58.65 79.16 0.32 Allowed Pre-proline 0 C--N 1.362 1.135 0 C-N-CA 125.253 1.421 . . . . 0.0 110.504 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' O ' HG21 ' A' ' 22' ' ' VAL . 52.1 Cg_exo -53.02 136.39 60.84 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 122.487 2.125 . . . . 0.0 110.613 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.6 mt -56.92 -25.83 58.14 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 123.314 0.384 . . . . 0.0 111.784 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.66 -24.3 58.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 19' ' ' PRO . 7.1 m -68.2 -42.3 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.777 0.717 . . . . 0.0 110.071 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -75.67 -34.6 60.47 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.045 0.538 . . . . 0.0 110.398 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -71.45 -42.88 67.63 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.683 0.614 . . . . 0.0 111.497 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.4 mt -68.27 -34.79 76.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 117.862 0.301 . . . . 0.0 110.809 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.5 m -63.07 -49.66 73.64 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.444 0.465 . . . . 0.0 111.196 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 13.0 pt-20 -69.34 -47.45 64.33 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.839 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -62.59 -36.74 83.68 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.963 0.505 . . . . 0.0 111.004 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -56.14 -56.21 23.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.889 0.743 . . . . 0.0 110.617 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -74.95 -28.69 60.69 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.468 -171.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 35.4 mm-40 -68.88 -49.71 55.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.339 0.656 . . . . 0.0 109.316 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -66.3 -28.75 68.93 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.398 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.72 72.79 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.582 0.753 . . . . 0.0 110.282 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -76.22 -18.51 59.01 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.269 0.628 . . . . 0.0 110.808 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -86.6 -24.66 25.3 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.429 0.692 . . . . 0.0 110.601 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.77 65.15 1.63 Allowed Glycine 0 C--N 1.353 1.475 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 15.7 mtp180 -130.94 139.79 50.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.034 0.934 . . . . 0.0 110.205 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -71.46 -20.03 62.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.074 0.549 . . . . 0.0 111.447 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.426 ' O ' HG12 ' A' ' 42' ' ' VAL . 17.4 p -68.0 -17.17 64.34 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.11 0.564 . . . . 0.0 112.401 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -61.47 -29.65 70.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.134 0.425 . . . . 0.0 109.99 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -72.68 -41.55 65.23 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.313 1.008 . . . . 0.0 110.923 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 39' ' ' THR . 5.8 p -71.63 -35.09 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 117.884 0.311 . . . . 0.0 110.475 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -73.07 -30.52 63.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.276 0.63 . . . . 0.0 110.243 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 43.6 tt0 -71.52 -53.13 14.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.696 0.798 . . . . 0.0 111.304 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.68 -36.95 85.12 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.503 0.502 . . . . 0.0 110.975 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.15 96.25 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.824 0.703 . . . . 0.0 109.745 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 65.6 tp -59.31 -50.47 73.88 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.805 . . . . 0.0 111.001 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 40.3 mmm-85 -65.12 -37.09 86.35 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.82 0.448 . . . . 0.0 110.687 -175.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.2 t -67.36 -34.88 78.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.162 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.14 -38.19 66.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.204 1.002 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 9.7 mm100 -75.9 -27.08 57.53 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.103 0.561 . . . . 0.0 111.634 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -86.8 -20.44 27.57 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -76.83 120.43 81.66 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.19 30.14 0.47 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 123.229 2.619 . . . . 0.0 113.305 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 HD12 HD22 ' A' ' 57' ' ' LEU . 1.9 tm? -130.01 113.94 17.47 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.4 97.17 0.25 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.117 2.544 . . . . 0.0 112.222 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 63' ' ' ALA . 68.5 mt -74.91 100.91 4.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.738 0.815 . . . . 0.0 109.569 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -82.74 -22.33 34.44 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.001 0.92 . . . . 0.0 110.681 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.499 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.5 t -112.34 132.74 54.83 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.805 0.842 . . . . 0.0 109.35 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.62 -21.68 74.81 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.535 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.39 -39.93 81.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.611 1.165 . . . . 0.0 110.38 171.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.499 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 24.1 mm-40 -74.68 -19.88 60.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.525 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -80.57 -21.53 41.59 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.601 0.76 . . . . 0.0 111.455 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 38.2 ttpt -69.37 -24.12 63.84 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.618 0.767 . . . . 0.0 112.102 -175.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.1 pt -64.85 -21.3 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.347 . . . . 0.0 111.435 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mp -93.39 119.36 32.41 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.81 -15.15 63.39 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.76 0.824 . . . . 0.0 111.716 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -67.19 -23.66 65.78 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.713 0.805 . . . . 0.0 111.508 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -87.09 -74.09 0.45 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 167.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.55 178.06 35.43 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.328 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.61 -50.26 59.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.63 0.772 . . . . 0.0 112.424 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -63.93 -43.74 94.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.607 0.763 . . . . 0.0 110.897 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 77' ' ' LEU . 1.4 tm? -61.24 -49.05 78.68 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.155 0.909 . . . . 0.0 109.027 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 9.3 t -54.89 -41.85 71.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.425 1.09 . . . . 0.0 111.699 178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -71.06 -35.1 71.79 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.828 0.705 . . . . 0.0 111.045 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.7 mmm -60.74 -47.75 84.91 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.485 0.314 . . . . 0.0 110.298 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 73' ' ' LEU . 8.0 mp -66.1 -34.45 78.08 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.973 0.909 . . . . 0.0 111.266 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.48 -48.38 70.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.872 0.869 . . . . 0.0 110.388 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.7 mm-40 -59.38 -49.52 77.48 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.236 1.014 . . . . 0.0 110.703 177.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -61.71 -45.07 95.53 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.739 0.816 . . . . 0.0 112.072 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.73 -41.3 95.04 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -68.09 -34.1 75.77 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.031 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 55.9 mt-30 -70.13 -39.71 75.26 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -62.82 -45.91 90.43 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.178 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -77.65 -56.95 4.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.204 0.202 . . . . 0.0 111.506 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.87 62.28 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.089 0.556 . . . . 0.0 112.06 -175.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 m -77.9 -26.13 48.93 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 119.521 -0.276 . . . . 0.0 111.371 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.43 -19.8 19.17 Favored Glycine 0 C--N 1.357 1.734 0 CA-C-N 117.73 0.241 . . . . 0.0 112.886 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.44 -95.82 0.62 Allowed Glycine 0 C--N 1.346 1.138 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.247 0.964 0 C-N-CA 124.075 0.95 . . . . 0.0 108.569 178.072 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 mtp-105 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.05 106.1 1.73 Allowed 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 122.468 2.112 . . . . 0.0 112.693 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -85.57 115.79 62.95 Favored Pre-proline 0 CA--C 1.554 1.107 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.07 103.93 0.22 Allowed 'Trans proline' 0 C--N 1.38 2.228 0 C-N-CA 122.959 2.439 . . . . 0.0 112.769 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.97 -26.85 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 124.319 1.048 . . . . 0.0 110.532 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.8 t -133.52 83.43 48.89 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -82.53 67.96 7.81 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.264 2.643 . . . . 0.0 112.21 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.474 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 41.7 t30 -57.6 -46.35 99.77 Favored Pre-proline 0 CA--C 1.558 1.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.371 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 18' ' ' ASN . 3.3 Cg_exo -84.55 103.98 0.94 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.033 1.822 . . . . 0.0 109.291 159.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.35 -20.78 65.81 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.602 0.761 . . . . 0.0 111.722 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.495 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 36.7 m-85 -63.02 -31.81 73.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.723 1.209 . . . . 0.0 110.394 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 19' ' ' PRO . 82.2 t -66.68 -51.92 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.361 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -64.49 -34.18 77.62 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.527 -0.273 . . . . 0.0 111.19 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.78 -46.54 71.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.949 0.5 . . . . 0.0 110.679 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 73' ' ' LEU . 80.8 mt -69.45 -30.98 69.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -71.54 -46.48 59.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.792 0.437 . . . . 0.0 110.403 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.74 -36.58 67.76 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.671 0.388 . . . . 0.0 111.292 -174.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -65.17 -45.82 83.37 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.658 0.383 . . . . 0.0 110.119 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -59.05 -39.51 82.24 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.104 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.65 -42.54 61.24 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.571 0.748 . . . . 0.0 111.273 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.5 -43.51 89.9 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.014 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.83 -31.31 72.2 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.095 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -67.77 -39.51 84.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.28 0.632 . . . . 0.0 110.701 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -82.53 -24.3 34.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.151 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -99.64 -11.62 20.77 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.182 0.593 . . . . 0.0 111.473 -174.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.88 16.04 60.3 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -83.77 126.1 32.58 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.613 1.165 . . . . 0.0 109.947 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -62.03 -20.23 63.72 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.806 1.243 . . . . 0.0 113.619 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -66.7 -15.51 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 27.9 ptt180 -54.86 -31.6 59.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.117 0.567 . . . . 0.0 111.761 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -70.2 -43.46 70.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.487 0.715 . . . . 0.0 111.145 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.13 -36.72 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.46 -29.77 68.48 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.392 0.677 . . . . 0.0 110.623 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.39 -53.9 12.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.417 0.687 . . . . 0.0 110.874 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -67.17 -29.32 68.98 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.429 0.456 . . . . 0.0 110.959 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.31 75.0 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.708 0.803 . . . . 0.0 110.313 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.95 -41.96 99.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.073 0.949 . . . . 0.0 111.015 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -65.13 -47.35 77.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.669 0.788 . . . . 0.0 110.033 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 77.4 p -67.44 -30.77 70.59 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.215 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.78 -48.37 63.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.44 0.696 . . . . 0.0 109.671 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.6 -43.08 97.84 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.77 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.58 -24.04 49.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.514 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.1 t80 -71.81 122.48 87.37 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 122.867 0.467 . . . . 0.0 110.358 -174.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -91.15 19.15 1.15 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.568 2.845 . . . . 0.0 113.675 -170.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -100.14 154.32 37.28 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 123.23 0.612 . . . . 0.0 109.789 172.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -49.74 -50.58 12.8 Favored 'Trans proline' 0 C--N 1.389 2.685 0 C-N-CA 123.863 3.042 . . . . 0.0 114.44 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt 59.5 27.85 17.1 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.025 0.93 . . . . 0.0 111.472 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -77.75 -2.54 36.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.934 0.894 . . . . 0.0 111.85 -174.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -124.36 146.04 49.08 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.162 0.985 . . . . 0.0 108.555 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -69.44 -18.45 73.55 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 112.323 -0.311 . . . . 0.0 112.323 175.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -63.98 -33.09 74.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 111.177 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.9 -17.82 61.47 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.311 0.645 . . . . 0.0 111.537 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.27 -17.36 60.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.454 0.702 . . . . 0.0 111.415 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 58.2 tptt -62.48 -41.56 98.87 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.469 1.108 . . . . 0.0 112.249 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.5 pt -63.74 -23.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.856 0.462 . . . . 0.0 111.69 -174.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.32 110.32 21.61 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -69.39 -17.08 63.63 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.525 0.73 . . . . 0.0 111.104 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -55.72 -30.46 61.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.214 1.006 . . . . 0.0 111.357 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -79.38 -57.86 3.49 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 172.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.46 172.52 38.21 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.027 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.77 -52.1 66.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.483 0.713 . . . . 0.0 112.05 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.72 -46.73 81.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.303 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 25' ' ' LEU . 6.6 tt -68.64 -42.27 78.22 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 37.5 t -58.44 -35.29 71.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.825 0.45 . . . . 0.0 110.342 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -70.23 -41.68 73.27 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.762 0.664 . . . . 0.0 110.631 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 83.7 mmm -60.34 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.754 0.788 . . . . 0.0 109.554 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.495 ' HG ' ' HD2' ' A' ' 21' ' ' PHE . 10.5 tp -73.76 -32.97 64.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 113.793 -1.549 . . . . 0.0 110.757 -173.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.543 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 37.1 t70 -70.07 -39.4 75.64 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.57 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.0 mt-10 -65.59 -44.68 85.88 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.583 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 76' ' ' MET . 31.3 mmmt -61.85 -46.71 88.26 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.432 0.457 . . . . 0.0 111.042 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.29 -41.95 90.16 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.16 -36.6 84.58 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.299 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.6 mt-30 -70.24 -35.83 74.1 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.721 0.408 . . . . 0.0 110.138 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.59 -36.48 82.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.727 0.411 . . . . 0.0 111.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.47 -33.77 60.85 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.73 0.412 . . . . 0.0 110.462 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.92 68.59 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.16 0.984 . . . . 0.0 110.691 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.4 m -96.32 -26.25 15.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.586 0.754 . . . . 0.0 111.756 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.41 -77.09 1.76 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 -170.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.24 93.73 0.13 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 CA--C 1.555 1.137 0 C-N-CA 123.587 0.755 . . . . 0.0 110.575 178.356 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -59.24 141.06 97.38 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 122.513 2.142 . . . . 0.0 112.054 169.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.517 HD12 ' HD2' ' A' ' 14' ' ' PRO . 61.0 tp -57.15 118.79 26.47 Favored Pre-proline 0 N--CA 1.479 0.998 0 C-N-CA 124.082 0.953 . . . . 0.0 109.384 177.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.517 ' HD2' HD12 ' A' ' 13' ' ' LEU . 46.5 Cg_endo -65.12 85.18 0.19 Allowed 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.963 2.442 . . . . 0.0 113.175 -174.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.73 -44.7 12.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 170.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -134.49 125.28 17.57 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.014 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -77.48 5.23 5.31 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.852 2.368 . . . . 0.0 114.527 -170.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 72.14 165.59 0.13 Allowed Pre-proline 0 N--CA 1.493 1.715 0 C-N-CA 124.618 1.167 . . . . 0.0 111.632 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HB2' ' HD2' ' A' ' 21' ' ' PHE . 56.9 Cg_endo -69.27 -20.34 37.28 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 122.127 1.885 . . . . 0.0 112.35 169.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 mp 74.18 -33.32 0.25 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.037 1.735 . . . . 0.0 112.473 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.493 ' HD2' ' HB2' ' A' ' 19' ' ' PRO . 95.7 m-85 -52.67 -36.18 56.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.207 1.003 . . . . 0.0 112.444 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.21 -43.88 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 O-C-N 123.517 0.511 . . . . 0.0 111.441 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.17 -30.47 62.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.59 -47.18 70.46 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.17 0.988 . . . . 0.0 110.891 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 59.0 mt -65.24 -30.28 71.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.8 0.44 . . . . 0.0 111.246 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 m -71.95 -52.76 15.6 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.413 0.446 . . . . 0.0 110.699 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.29 -44.87 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.673 0.608 . . . . 0.0 110.782 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.454 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 36.0 m0 -73.91 -29.14 61.89 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.364 0.666 . . . . 0.0 111.776 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -58.45 -50.15 74.74 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -73.24 -32.73 64.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.458 0.703 . . . . 0.0 110.863 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -66.56 -37.99 86.13 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.37 0.668 . . . . 0.0 110.155 173.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.62 -34.41 75.71 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.68 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' A' ' 40' ' ' ARG . . . -63.88 -52.21 61.01 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.666 0.604 . . . . 0.0 111.575 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -81.19 -44.75 17.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.55 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.93 67.51 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.716 0.407 . . . . 0.0 110.637 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.26 13.1 34.22 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 113.881 0.312 . . . . 0.0 113.881 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -67.87 132.39 47.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.944 0.498 . . . . 0.0 109.955 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -74.12 -4.26 34.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.778 0.831 . . . . 0.0 111.521 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -74.72 -0.6 18.62 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.187 0.995 . . . . 0.0 112.247 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.528 ' HD3' ' HB3' ' A' ' 33' ' ' ALA . 19.1 tpt180 -51.13 -41.91 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.994 0.918 . . . . 0.0 110.64 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -74.23 -42.26 60.01 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.486 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -75.1 -35.53 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 O-C-N 123.127 0.267 . . . . 0.0 110.743 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.39 -33.61 74.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.956 0.503 . . . . 0.0 110.358 174.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.19 -51.03 61.68 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.349 0.66 . . . . 0.0 111.1 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -74.44 -30.59 61.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.051 0.54 . . . . 0.0 111.546 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.07 68.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.207 0.603 . . . . 0.0 110.012 175.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 60.7 tp -60.95 -45.78 93.35 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.773 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -62.03 -42.12 98.83 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.728 0.643 . . . . 0.0 110.364 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 21.9 t -62.44 -39.65 94.03 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.507 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 tp -73.56 -36.84 65.68 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.803 0.841 . . . . 0.0 111.627 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.503 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.7 mt-30 -66.98 -35.43 79.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.448 0.699 . . . . 0.0 111.347 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.5 -22.73 24.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.357 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.2 t80 -74.89 116.44 53.94 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 122.619 0.368 . . . . 0.0 110.073 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -33.07 85.04 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 123.409 2.739 . . . . 0.0 113.949 -172.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.9 125.08 88.64 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 122.655 0.382 . . . . 0.0 110.339 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -72.86 90.7 0.83 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.926 2.418 . . . . 0.0 110.693 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 63' ' ' ALA . 47.3 mt -70.4 95.52 1.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.926 0.891 . . . . 0.0 110.036 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -101.43 32.66 3.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.033 0.933 . . . . 0.0 110.673 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.506 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.1 t -158.67 146.49 18.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.215 1.406 . . . . 0.0 107.776 168.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.49 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -73.94 -22.97 77.38 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.42 -43.64 75.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.387 1.075 . . . . 0.0 110.352 165.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 43.3 mt-10 -72.98 -39.09 66.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.824 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.614 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -69.41 -17.08 63.62 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.366 0.666 . . . . 0.0 112.109 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 36.3 ttpt -76.12 -14.54 60.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.529 0.732 . . . . 0.0 112.252 -176.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.8 pt -67.56 -25.83 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-O 120.692 0.282 . . . . 0.0 110.688 176.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.8 114.81 24.77 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 109.015 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -73.45 -8.46 55.98 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.276 0.63 . . . . 0.0 112.594 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -64.35 -29.04 70.12 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.086 0.554 . . . . 0.0 111.082 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.26 -80.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.179 0.991 . . . . 0.0 109.425 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.89 13.63 Favored Glycine 0 C--N 1.343 0.933 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.0 -54.01 47.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.927 0.891 . . . . 0.0 111.227 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.23 -34.02 72.35 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.441 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.42 HD11 HD12 ' A' ' 77' ' ' LEU . 1.3 tm? -62.37 -53.08 60.19 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 0.0 109.248 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 86.4 m -68.38 -26.75 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.825 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -64.17 -51.29 64.51 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.772 0.429 . . . . 0.0 110.217 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.3 mtp -61.03 -50.57 72.82 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.843 0.715 . . . . 0.0 110.349 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.42 HD12 HD11 ' A' ' 73' ' ' LEU . 9.3 mp -55.83 -50.47 70.44 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.658 0.783 . . . . 0.0 112.695 176.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.49 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 24.8 t70 -65.36 -40.66 93.84 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.893 0.477 . . . . 0.0 110.508 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 40.1 mm-40 -59.06 -47.26 85.89 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 124.101 0.875 . . . . 0.0 110.704 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.454 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 29.1 mmmt -56.04 -48.14 76.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.254 0.622 . . . . 0.0 111.507 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.81 -47.28 87.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.613 0.571 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -62.06 -28.56 69.69 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.184 . . . . 0.0 111.559 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt-30 -75.62 -37.55 59.67 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.306 0.643 . . . . 0.0 109.671 175.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.616 0.766 . . . . 0.0 110.524 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.59 -29.29 27.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.73 0.812 . . . . 0.0 111.107 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.61 44.62 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.914 0.486 . . . . 0.0 110.657 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.1 t -84.07 -42.57 15.98 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.297 0.639 . . . . 0.0 109.96 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.46 -62.9 1.75 Allowed Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.772 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.75 -152.36 20.27 Favored Glycine 0 C--N 1.341 0.847 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.27 164.04 36.5 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 121.985 1.79 . . . . 0.0 110.385 163.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp 67.13 102.59 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 124.137 0.975 . . . . 0.0 109.494 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.98 30.77 0.52 Allowed 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 123.164 2.576 . . . . 0.0 113.07 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -68.22 171.14 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 124.623 1.169 . . . . 0.0 112.214 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.1 p -63.87 133.52 95.6 Favored Pre-proline 0 CA--C 1.557 1.249 0 C-N-CA 123.811 0.844 . . . . 0.0 112.055 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.65 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 36.4 Cg_endo -87.35 58.0 3.31 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.293 2.662 . . . . 0.0 111.656 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 39.2 t-20 -59.87 -41.94 88.13 Favored Pre-proline 0 CA--C 1.576 1.943 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.616 -177.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 18' ' ' ASN . 18.7 Cg_endo -56.27 111.19 0.71 Allowed 'Trans proline' 0 C--N 1.408 3.663 0 C-N-CA 122.343 2.029 . . . . 0.0 111.238 171.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.98 -45.98 89.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.773 1.229 . . . . 0.0 113.424 -166.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -66.78 -33.76 76.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.934 0.397 . . . . 0.0 111.407 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.39 -55.72 17.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.093 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 11.0 ptm180 -65.52 -34.73 78.94 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.022 -176.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m0 -68.76 -39.23 80.38 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 HD23 ' A' ' 73' ' ' LEU . 64.9 mt -68.63 -30.96 69.79 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 174.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 m -71.4 -51.14 25.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.849 0.459 . . . . 0.0 110.796 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.24 -32.46 64.74 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.79 0.836 . . . . 0.0 111.312 -173.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 46.3 m0 -75.99 -30.49 58.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.685 0.394 . . . . 0.0 110.424 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -66.2 -37.29 85.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.237 0.615 . . . . 0.0 109.669 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.06 -41.59 77.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.289 1.035 . . . . 0.0 110.24 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.22 -32.9 72.47 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.975 0.91 . . . . 0.0 110.917 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.69 -22.15 43.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.93 0.492 . . . . 0.0 110.822 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.5 57.65 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.234 0.613 . . . . 0.0 110.148 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -80.18 -58.34 3.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 111.614 -171.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -33.48 73.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.991 0.917 . . . . 0.0 110.59 177.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.92 34.22 6.3 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.723 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -85.82 127.56 34.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -70.82 -10.28 59.23 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.796 . . . . 0.0 111.825 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 p -73.39 -3.42 27.19 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.987 0.915 . . . . 0.0 112.641 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -54.77 -35.23 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.405 0.682 . . . . 0.0 111.558 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.39 -50.11 74.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.01 -37.02 59.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 122.355 0.262 . . . . 0.0 110.594 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.15 -35.02 78.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.27 0.628 . . . . 0.0 111.131 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.82 -55.26 7.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.47 0.708 . . . . 0.0 110.508 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.64 -30.0 70.65 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.471 0.482 . . . . 0.0 111.393 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.43 60.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.472 0.709 . . . . 0.0 110.55 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 51.8 tp -57.72 -52.67 64.51 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.635 0.774 . . . . 0.0 110.712 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 9.9 mmm180 -63.58 -37.25 86.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.117 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -64.41 -40.87 96.61 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.238 0.615 . . . . 0.0 110.293 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.627 ' HG ' HD13 ' A' ' 57' ' ' LEU . 1.8 tt -67.03 -36.93 83.18 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.8 0.84 . . . . 0.0 109.798 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 14.0 mm100 -65.9 -34.42 78.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.562 0.745 . . . . 0.0 111.597 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 22.1 ptt85 -100.6 -3.07 31.22 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.971 0.508 . . . . 0.0 112.35 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 55' ' ' LEU . 42.5 t80 -86.01 119.04 71.49 Favored Pre-proline 0 N--CA 1.48 1.068 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.7 -24.67 47.4 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.264 2.642 . . . . 0.0 114.356 -170.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 6.6 mp -82.88 131.43 54.3 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -70.65 110.67 2.79 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.809 2.339 . . . . 0.0 109.537 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.627 HD13 ' HG ' ' A' ' 50' ' ' LEU . 93.4 mt -81.79 61.85 5.34 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.866 0.866 . . . . 0.0 111.508 -174.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -93.17 83.41 4.65 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.786 0.835 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 t -173.08 -52.74 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.864 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.35 -44.52 1.53 Allowed Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.205 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.59 -47.17 86.63 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.026 0.931 . . . . 0.0 110.631 171.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.84 -16.16 64.1 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.531 0.733 . . . . 0.0 112.461 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.76 -22.67 58.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.2 0.6 . . . . 0.0 111.601 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.745 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.0 ttpt -71.5 -28.21 63.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.821 . . . . 0.0 112.701 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.6 pt -64.73 -24.43 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 122.575 0.35 . . . . 0.0 111.339 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -89.21 116.6 27.57 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.66 -21.84 66.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.156 0.582 . . . . 0.0 112.055 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -55.01 -35.16 64.11 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.458 0.703 . . . . 0.0 111.519 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.545 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -79.11 -58.79 3.06 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.271 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 149.66 5.89 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.109 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.49 -33.14 20.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.26 1.024 . . . . 0.0 113.172 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -59.2 -56.88 16.5 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.575 0.75 . . . . 0.0 110.399 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.7 tt -71.8 -36.97 70.45 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.566 -174.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.745 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.2 m -63.52 -36.73 84.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.267 0.627 . . . . 0.0 111.049 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.91 -39.75 83.53 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.728 0.642 . . . . 0.0 110.602 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.69 -50.66 73.05 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 123.276 0.36 . . . . 0.0 111.056 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.69 -34.54 74.08 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.516 0.726 . . . . 0.0 111.876 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.48 -43.6 80.57 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.4 0.68 . . . . 0.0 110.294 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 39.9 mt-10 -67.04 -41.84 85.87 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.047 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 30.7 mmmt -63.74 -41.27 98.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.291 0.236 . . . . 0.0 110.776 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.01 -39.28 94.28 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.77 -41.77 98.13 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.248 1.019 . . . . 0.0 110.711 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 96.2 mt-30 -75.11 -33.58 61.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.499 0.719 . . . . 0.0 110.25 -177.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -61.84 -44.08 97.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.46 1.104 . . . . 0.0 110.202 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.9 mt -80.86 -31.38 35.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.783 0.433 . . . . 0.0 111.204 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.01 81.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.227 0.611 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.6 m -86.1 -28.6 23.94 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.514 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.67 -35.97 4.7 Favored Glycine 0 C--N 1.349 1.274 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -144.37 -158.92 7.81 Favored Glycine 0 C--N 1.342 0.873 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 . . . . . 0 C--O 1.248 1.0 0 C-N-CA 123.488 0.715 . . . . 0.0 109.875 -179.276 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.37 93.68 0.3 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.59 2.193 . . . . 0.0 111.682 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 pp -128.93 151.99 78.41 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.486 1.114 . . . . 0.0 109.657 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.85 119.1 6.1 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.045 1.83 . . . . 0.0 111.43 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 m -80.67 0.92 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.506 0.722 . . . . 0.0 111.117 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.2 m -51.27 110.0 1.61 Allowed Pre-proline 0 C--N 1.359 0.979 0 C-N-CA 124.918 1.287 . . . . 0.0 111.091 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.675 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 12.8 Cg_exo -70.45 95.3 0.61 Allowed 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.865 2.377 . . . . 0.0 111.321 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -62.52 -49.74 81.92 Favored Pre-proline 0 CA--C 1.562 1.412 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.631 ' HB3' ' HA ' ' A' ' 58' ' ' ARG . 73.7 Cg_endo -83.59 140.47 9.41 Favored 'Trans proline' 0 C--N 1.384 2.446 0 C-N-CA 121.374 1.383 . . . . 0.0 110.063 157.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.4 -15.92 58.98 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.596 0.358 . . . . 0.0 110.929 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -60.39 -29.42 68.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.57 1.148 . . . . 0.0 112.382 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.675 ' HB ' ' HB3' ' A' ' 17' ' ' PRO . 60.3 t -65.16 -54.12 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -69.01 -30.65 69.09 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.094 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -70.17 -51.01 34.48 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 122.846 0.459 . . . . 0.0 110.817 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 79.7 mt -64.33 -27.44 69.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.407 . . . . 0.0 111.916 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.6 m -70.27 -49.42 50.01 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.825 0.45 . . . . 0.0 110.949 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.91 -33.74 68.53 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.825 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -70.6 -39.24 73.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.911 0.485 . . . . 0.0 110.158 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -60.94 -43.9 98.0 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.789 0.836 . . . . 0.0 110.575 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.71 -48.79 68.13 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.868 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.95 -32.16 72.4 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.121 0.968 . . . . 0.0 110.99 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.19 71.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.626 0.37 . . . . 0.0 110.571 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.23 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.05 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -80.07 -35.78 36.55 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.359 0.663 . . . . 0.0 111.779 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.569 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 3.9 tpt180 -92.09 -7.73 47.81 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.533 0.733 . . . . 0.0 110.749 -173.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.06 10.56 85.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 116.251 -0.432 . . . . 0.0 113.718 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.569 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 38.2 mmt180 -69.11 122.15 18.17 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -71.98 -3.49 23.03 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.369 0.668 . . . . 0.0 111.815 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 p -67.22 -8.34 30.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.664 0.785 . . . . 0.0 112.114 170.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -51.54 -39.07 57.05 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.087 0.555 . . . . 0.0 110.578 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -61.79 -50.13 73.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.326 1.016 . . . . 0.0 111.434 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.91 -34.41 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 122.147 0.179 . . . . 0.0 111.046 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -74.27 -33.37 63.24 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.034 0.533 . . . . 0.0 111.067 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.66 -46.04 48.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -72.27 -32.51 66.71 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 123.398 0.436 . . . . 0.0 110.744 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.32 -41.56 73.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.467 0.479 . . . . 0.0 110.449 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 62.7 tp -65.41 -44.69 86.66 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.914 0.486 . . . . 0.0 110.9 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -65.55 -37.82 87.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.889 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.0 m -63.28 -44.75 94.19 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.839 0.712 . . . . 0.0 110.544 173.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.52 -40.27 86.61 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.227 1.011 . . . . 0.0 111.597 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.66 -41.81 36.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.42 0.688 . . . . 0.0 111.793 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.25 -28.96 57.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.476 0.31 . . . . 0.0 111.588 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -76.47 119.77 78.8 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.31 -15.64 38.91 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.406 2.071 . . . . 0.0 112.745 -173.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 47.3 tp -76.06 120.75 83.03 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 109.58 176.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 55' ' ' LEU . 7.9 Cg_exo -72.64 98.92 1.0 Allowed 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 123.01 2.473 . . . . 0.0 110.743 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.26 81.47 6.51 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.631 ' HA ' ' HB3' ' A' ' 19' ' ' PRO . 35.8 ttm180 -89.65 -8.73 51.83 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.378 1.071 . . . . 0.0 110.463 177.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -121.0 134.38 55.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.503 1.121 . . . . 0.0 109.458 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.48 -22.29 69.43 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.224 -0.444 . . . . 0.0 113.132 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -65.88 -39.33 90.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 0.0 110.648 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 65' ' ' ILE . 28.9 mm-40 -72.85 -23.32 60.74 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.583 0.753 . . . . 0.0 111.034 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.61 -21.98 61.03 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.332 0.653 . . . . 0.0 111.741 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.519 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 48.8 tptt -64.98 -28.95 69.86 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.897 0.879 . . . . 0.0 112.186 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.5 pt -66.58 -17.03 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 117.747 0.249 . . . . 0.0 111.078 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -100.37 121.65 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -83.43 -7.73 59.51 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.508 0.723 . . . . 0.0 111.336 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -66.33 -31.88 72.95 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -75.21 -72.03 0.33 Allowed 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 166.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.45 173.89 50.01 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.69 -0.506 . . . . 0.0 112.7 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.46 -50.34 65.51 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.596 0.758 . . . . 0.0 112.824 -175.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -62.85 -46.36 88.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.837 0.711 . . . . 0.0 110.899 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -65.98 -54.21 29.06 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.7 m -62.16 -34.01 75.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.017 0.927 . . . . 0.0 112.293 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.3 tpt85 -72.79 -44.05 62.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.444 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 61.0 mtm -70.38 -34.88 73.1 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.401 0.438 . . . . 0.0 110.047 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 tp -62.34 -43.92 97.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 109.537 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.71 -40.9 92.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.793 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 22.9 mm-40 -67.35 -35.92 80.35 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.464 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 76' ' ' MET . 30.3 mmmt -67.63 -44.07 78.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.939 0.496 . . . . 0.0 110.142 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.4 tm? -62.02 -35.82 79.7 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.218 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.14 -39.83 93.58 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.318 1.047 . . . . 0.0 110.491 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 52.0 mt-30 -67.9 -36.3 79.97 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.718 0.407 . . . . 0.0 110.381 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.79 -48.07 78.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.199 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 77.6 mt -66.65 -44.89 80.67 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.426 0.454 . . . . 0.0 110.926 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.04 -51.33 56.01 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.55 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.7 t -71.44 -33.16 69.13 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.538 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.72 47.47 1.31 Allowed Glycine 0 C--N 1.347 1.193 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.932 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -83.54 -100.59 0.55 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--O 1.258 1.504 0 C-N-CA 124.129 0.972 . . . . 0.0 108.477 176.856 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 . . . . . 0 CA--C 1.564 1.504 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -88.3 -2.4 6.9 Favored 'Trans proline' 0 C--N 1.392 2.827 0 C-N-CA 121.916 1.744 . . . . 0.0 113.463 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 53.62 68.32 2.96 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.502 1.121 . . . . 0.0 110.268 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -61.54 103.71 0.28 Allowed 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 122.892 2.394 . . . . 0.0 112.218 -173.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.95 -42.84 90.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 115.03 -0.987 . . . . 0.0 111.895 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.1 m 67.69 144.18 0.09 OUTLIER Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 125.1 1.36 . . . . 0.0 112.211 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HD2' ' HG3' ' A' ' 56' ' ' PRO . 32.7 Cg_exo -60.12 100.57 0.14 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.722 2.281 . . . . 0.0 110.071 168.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -46.57 104.05 0.39 Allowed Pre-proline 0 N--CA 1.483 1.176 0 O-C-N 125.07 1.481 . . . . 0.0 112.534 -170.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.02 158.94 45.35 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 121.766 1.644 . . . . 0.0 110.664 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.8 -28.62 67.75 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.47 174.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -65.02 -40.0 94.22 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.36 -47.39 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 117.9 0.318 . . . . 0.0 111.094 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -66.56 -34.23 77.43 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.281 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.442 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.7 m0 -67.73 -43.45 79.94 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 123.788 0.68 . . . . 0.0 111.103 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -32.19 73.58 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.504 0.321 . . . . 0.0 110.716 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.3 m -73.35 -51.68 16.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.814 0.446 . . . . 0.0 111.167 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.7 pt-20 -72.67 -33.94 66.88 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.94 0.496 . . . . 0.0 111.473 -172.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -75.75 -31.07 59.41 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.066 0.546 . . . . 0.0 109.98 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -68.0 -35.01 77.6 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.26 0.624 . . . . 0.0 110.647 171.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.27 -37.79 78.07 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.819 0.847 . . . . 0.0 109.981 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.64 -35.78 77.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.166 0.586 . . . . 0.0 109.963 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.45 -20.62 60.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 111.31 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HA ' HH11 ' A' ' 40' ' ' ARG . . . -79.57 -50.19 11.07 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.178 0.591 . . . . 0.0 110.305 174.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -68.97 -48.15 63.86 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.054 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -72.19 -27.99 62.91 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.005 0.522 . . . . 0.0 111.239 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.88 37.8 12.58 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.721 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -76.02 142.59 41.8 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.717 0.807 . . . . 0.0 109.919 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -74.33 -11.96 60.4 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.173 0.589 . . . . 0.0 110.687 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -73.82 -7.57 52.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 112.641 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.606 HH11 ' HA ' ' A' ' 33' ' ' ALA . 42.2 ttp180 -55.54 -35.8 66.07 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.35 0.595 . . . . 0.0 110.874 174.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -71.07 -43.41 67.81 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.393 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.65 -32.61 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 122.502 0.321 . . . . 0.0 111.021 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -69.11 -33.97 74.33 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.06 0.544 . . . . 0.0 109.907 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.69 -50.64 56.57 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.486 0.714 . . . . 0.0 110.784 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -70.26 -31.3 68.62 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.003 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.74 69.04 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.962 0.505 . . . . 0.0 110.385 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.51 -50.67 57.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.017 0.527 . . . . 0.0 110.667 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -63.23 -43.13 98.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.361 0.664 . . . . 0.0 111.373 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.0 p -60.43 -40.73 92.13 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.516 0.51 . . . . 0.0 110.57 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.74 -34.57 77.1 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.812 0.845 . . . . 0.0 110.021 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -67.71 -35.95 79.74 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.511 0.724 . . . . 0.0 111.497 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -94.72 -6.96 41.96 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.141 0.275 . . . . 0.0 111.304 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.453 ' HH ' HD23 ' A' ' 55' ' ' LEU . 15.3 t80 -93.02 105.24 14.3 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.56 -0.88 9.45 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.991 2.46 . . . . 0.0 113.578 -170.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.453 HD23 ' HH ' ' A' ' 53' ' ' TYR . 7.5 mp -82.07 125.44 77.22 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 109.946 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.508 ' HG3' ' HD2' ' A' ' 17' ' ' PRO . 2.8 Cg_exo -73.94 97.07 0.96 Allowed 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 123.383 2.722 . . . . 0.0 110.534 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 mt -74.01 96.34 2.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 110.273 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -98.35 -21.15 16.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.869 0.868 . . . . 0.0 110.753 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.456 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.6 t -119.93 144.19 47.58 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.962 0.905 . . . . 0.0 109.604 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.47 62.7 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 123.24 0.338 . . . . 0.0 112.769 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -63.44 -41.36 98.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.605 1.162 . . . . 0.0 110.65 172.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 32.2 mt-10 -72.67 -27.91 62.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.508 0.723 . . . . 0.0 111.106 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.91 -29.83 55.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.392 0.677 . . . . 0.0 110.971 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 21.8 tptm -60.94 -33.32 73.0 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.682 1.193 . . . . 0.0 112.517 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.8 pt -70.2 -9.77 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.13 124.7 49.56 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.43 0.692 . . . . 0.0 109.273 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.51 -11.77 59.89 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.002 0.921 . . . . 0.0 112.19 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -64.24 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.826 0.451 . . . . 0.0 110.007 171.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.432 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 4.7 m-85 -83.41 -76.55 0.28 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.577 172.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.6 174.84 50.54 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-O 119.699 -0.501 . . . . 0.0 112.682 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.96 -45.49 67.76 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.565 0.746 . . . . 0.0 112.358 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -62.41 -52.99 61.39 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.936 0.894 . . . . 0.0 111.907 -174.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.406 HD12 HD13 ' A' ' 77' ' ' LEU . 1.9 tm? -68.56 -45.9 70.9 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.052 0.941 . . . . 0.0 109.662 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 65.6 m -64.87 -30.64 71.65 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.776 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.66 -42.37 82.28 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.709 0.631 . . . . 0.0 110.022 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -59.66 -46.07 90.14 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.988 0.515 . . . . 0.0 110.617 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD13 HD12 ' A' ' 73' ' ' LEU . 7.6 mp -62.77 -38.39 90.41 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.602 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.57 -48.36 64.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.262 1.025 . . . . 0.0 111.61 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 38.2 mm-40 -55.75 -53.18 59.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.247 1.019 . . . . 0.0 110.132 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -65.75 -36.43 83.54 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.397 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.5 -47.24 79.7 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -38.59 91.57 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.208 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 14.9 mm100 -72.03 -29.93 64.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.212 0.605 . . . . 0.0 111.171 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -77.23 -34.05 56.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.45 0.7 . . . . 0.0 109.961 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.41 -36.55 74.09 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.361 0.665 . . . . 0.0 110.45 173.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.99 -42.04 60.99 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.794 0.838 . . . . 0.0 111.332 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.5 t -76.2 -58.01 3.53 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.624 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.76 43.48 2.87 Favored Glycine 0 C--N 1.347 1.154 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.595 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -91.26 -26.49 21.04 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-O 119.706 -0.497 . . . . 0.0 113.649 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.027 -177.66 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.26 -37.04 64.73 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.161 2.574 . . . . 0.0 112.289 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.6 mt -114.8 93.26 33.11 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 124.226 1.01 . . . . 0.0 108.34 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -84.51 33.1 0.49 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.572 2.848 . . . . 0.0 112.639 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.63 -33.54 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 124.327 1.051 . . . . 0.0 111.037 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.2 p -68.6 130.45 91.95 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 123.321 0.648 . . . . 0.0 109.891 171.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.03 91.49 0.38 Allowed 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.696 2.264 . . . . 0.0 111.727 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.7 127.52 82.06 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 123.086 0.554 . . . . 0.0 109.691 177.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.15 -25.03 72.83 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.9 2.4 . . . . 0.0 112.775 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 38.6 tp 76.63 -52.12 0.58 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.193 1.397 . . . . 0.0 113.52 167.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -65.19 -21.16 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.533 . . . . 0.0 111.527 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.9 t -62.01 -55.7 22.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 122.992 0.517 . . . . 0.0 109.966 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 6.3 ptp180 -63.72 -36.05 82.58 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.265 0.353 . . . . 0.0 110.696 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -67.62 -51.89 44.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 123.706 0.802 . . . . 0.0 111.579 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.47 -28.8 70.21 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.43 0.292 . . . . 0.0 111.526 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -74.89 -44.98 45.86 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.899 0.479 . . . . 0.0 111.249 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.96 -38.83 69.7 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.602 0.361 . . . . 0.0 111.015 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.424 ' HZ2' ' HE2' ' A' ' 80' ' ' LYS . 33.0 m0 -72.64 -34.38 67.24 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.935 0.494 . . . . 0.0 110.422 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -62.91 -39.45 94.57 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.437 0.695 . . . . 0.0 110.459 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.39 -42.09 72.17 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.82 0.7 . . . . 0.0 110.032 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.53 -37.18 86.65 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.105 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.46 -32.24 71.04 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.978 -0.451 . . . . 0.0 111.01 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.23 58.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.955 0.902 . . . . 0.0 111.548 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -97.51 -57.77 2.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.26 0.624 . . . . 0.0 111.265 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.41 -52.04 56.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.415 0.686 . . . . 0.0 110.554 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.45 68.35 0.26 Allowed Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.34 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -117.17 135.87 53.46 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -74.54 -4.07 34.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.336 0.654 . . . . 0.0 112.61 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.9 p -79.69 4.64 15.56 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.427 0.691 . . . . 0.0 111.388 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 tpt85 -51.18 -43.62 61.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.71 1.204 . . . . 0.0 111.757 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.65 -46.13 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 124.277 0.986 . . . . 0.0 111.193 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.93 -33.19 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.295 0.238 . . . . 0.0 111.287 -176.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -76.25 -29.86 57.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.133 0.573 . . . . 0.0 111.172 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.18 -48.64 75.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.89 0.476 . . . . 0.0 110.424 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -75.09 -34.87 61.8 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.553 0.533 . . . . 0.0 111.962 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.14 89.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.616 0.722 . . . . 0.0 110.098 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 55.3 tp -68.69 -40.42 80.07 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.571 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -58.36 -48.08 81.72 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.428 0.691 . . . . 0.0 110.438 -174.554 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.7 p -59.59 -48.26 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.435 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.413 HD11 HD13 ' A' ' 57' ' ' LEU . 22.7 tp -62.89 -30.09 71.26 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 123.599 0.76 . . . . 0.0 112.299 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.9 mm100 -70.35 -41.65 72.88 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.662 0.385 . . . . 0.0 110.319 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 10.9 ptt180 -100.88 15.6 27.98 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.41 0.684 . . . . 0.0 111.941 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -130.0 93.96 32.4 Favored Pre-proline 0 N--CA 1.479 0.992 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 170.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.88 37.19 0.65 Allowed 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 123.718 2.946 . . . . 0.0 113.934 -170.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD13 HD21 ' A' ' 57' ' ' LEU . 2.1 tm? -83.56 130.36 56.34 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 173.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.433 ' HD2' HD23 ' A' ' 55' ' ' LEU . 55.9 Cg_endo -67.43 88.22 0.33 Allowed 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.322 2.015 . . . . 0.0 111.841 173.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.517 HD21 HD13 ' A' ' 55' ' ' LEU . 79.3 mt -74.14 104.19 4.85 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 171.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -99.92 -45.21 5.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.799 0.839 . . . . 0.0 109.76 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.601 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 37.3 t -90.28 144.77 25.53 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -64.41 -25.9 70.32 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.433 173.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -64.0 -33.1 74.96 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.492 0.717 . . . . 0.0 111.15 173.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.601 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 39.4 mt-10 -68.82 -28.32 66.64 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.616 0.366 . . . . 0.0 111.081 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -68.04 -15.12 63.46 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.292 0.637 . . . . 0.0 112.437 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.628 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 22.0 tptm -67.93 -26.26 65.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 0.0 112.199 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.2 pt -63.97 -24.85 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 -175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.45 111.88 23.96 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 123.758 0.823 . . . . 0.0 108.93 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -77.07 -2.44 34.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.946 0.898 . . . . 0.0 112.112 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -70.63 -29.29 65.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -68.47 0.48 Allowed 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 167.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.71 172.19 34.62 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.499 -170.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.39 -42.5 87.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.378 0.671 . . . . 0.0 112.036 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -67.42 -44.82 77.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.552 0.741 . . . . 0.0 111.375 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -63.13 -44.95 94.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.876 0.871 . . . . 0.0 109.477 178.29 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.628 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 10.3 t -57.39 -39.64 76.52 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.516 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -70.46 -34.81 72.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.585 0.553 . . . . 0.0 110.912 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.55 -48.16 83.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.79 0.329 . . . . 0.0 110.485 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.427 HD11 HD11 ' A' ' 73' ' ' LEU . 9.4 mp -68.01 -30.09 69.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.746 0.818 . . . . 0.0 111.949 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.513 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 31.6 t70 -69.83 -45.63 67.4 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.826 0.85 . . . . 0.0 110.368 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 15.4 mm-40 -61.68 -52.95 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.104 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HE2' ' HZ2' ' A' ' 28' ' ' TRP . 29.3 mmmt -57.75 -41.98 83.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.611 0.764 . . . . 0.0 112.075 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.23 -48.13 83.06 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.831 0.452 . . . . 0.0 110.006 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -31.86 73.19 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.633 0.583 . . . . 0.0 111.235 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.4 mt-30 -73.79 -31.51 63.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.003 0.521 . . . . 0.0 110.239 178.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.99 -34.11 68.66 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.867 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.58 -32.43 66.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.923 0.489 . . . . 0.0 109.943 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.51 88.7 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.603 0.761 . . . . 0.0 110.815 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.3 p -80.01 -21.45 43.57 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.297 0.639 . . . . 0.0 111.242 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.44 -120.37 5.17 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 116.323 -0.399 . . . . 0.0 112.519 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.56 -45.16 0.23 Allowed Glycine 0 C--N 1.341 0.854 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 C--O 1.253 1.255 0 C-N-CA 123.913 0.885 . . . . 0.0 109.087 -178.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 2.9 mpt_? . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.43 -146.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.772 2.315 . . . . 0.0 111.019 169.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.1 tp 66.73 85.82 0.15 Allowed Pre-proline 0 N--CA 1.484 1.225 0 C-N-CA 124.469 1.107 . . . . 0.0 110.882 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 8.9 Cg_exo -73.89 135.38 21.25 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.643 2.228 . . . . 0.0 111.732 175.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.7 t -71.36 -60.38 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.067 0.547 . . . . 0.0 110.763 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -144.18 79.23 13.11 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.032 0.533 . . . . 0.0 109.988 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 50.3 Cg_endo -85.63 135.29 4.97 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.719 2.279 . . . . 0.0 112.219 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.21 -54.02 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.168 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.897 170.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -75.85 167.13 26.85 Favored 'Trans proline' 0 C--N 1.396 3.047 0 CA-C-N 121.076 1.42 . . . . 0.0 110.887 167.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.35 -27.45 60.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.816 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -63.33 -44.24 95.49 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.229 1.012 . . . . 0.0 112.096 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.26 -45.77 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 123.407 0.442 . . . . 0.0 110.979 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -71.77 -30.59 65.72 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.916 0.486 . . . . 0.0 111.109 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -68.68 -45.15 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.036 0.534 . . . . 0.0 110.237 175.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 76.7 mt -66.06 -29.93 70.36 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 122.325 -0.234 . . . . 0.0 111.335 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.439 ' HA ' HD22 ' A' ' 47' ' ' LEU . 99.3 m -66.97 -49.81 64.25 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.434 0.694 . . . . 0.0 110.867 177.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -67.39 -46.96 71.71 Favored 'General case' 0 C--O 1.199 -1.553 0 O-C-N 123.77 0.669 . . . . 0.0 109.982 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -64.21 -35.44 80.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.291 0.636 . . . . 0.0 111.946 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.9 ttp85 -64.39 -51.31 63.9 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.618 0.723 . . . . 0.0 110.983 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -70.79 -41.33 71.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.464 -174.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.16 -34.31 77.78 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 124.503 1.121 . . . . 0.0 110.559 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.564 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -60.89 -41.32 95.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.09 70.18 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.722 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 m -78.2 -16.31 57.99 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.726 0.81 . . . . 0.0 113.172 -171.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -104.04 -37.8 7.21 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.459 0.704 . . . . 0.0 109.591 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.97 21.86 6.51 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.197 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.564 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 mpt_? -74.95 140.95 44.06 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.3 0.64 . . . . 0.0 109.951 172.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -79.78 -5.58 55.62 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.862 0.865 . . . . 0.0 111.002 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 p -75.12 8.59 2.5 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.166 0.986 . . . . 0.0 112.817 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -49.93 -50.34 46.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.905 1.282 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -72.97 -41.23 64.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.0 0.92 . . . . 0.0 111.466 -169.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.86 -40.52 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 122.923 0.489 . . . . 0.0 110.676 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.38 -28.81 61.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.821 0.448 . . . . 0.0 110.875 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -56.45 18.21 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.378 0.671 . . . . 0.0 109.848 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -70.89 -37.05 72.98 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.879 0.737 . . . . 0.0 112.137 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.35 71.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.177 0.591 . . . . 0.0 110.722 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.9 tp -62.49 -48.58 78.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.896 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -53.77 -41.47 67.2 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.288 0.993 . . . . 0.0 110.72 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 58.7 m -64.44 -47.04 80.57 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.367 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HG ' HD11 ' A' ' 57' ' ' LEU . 4.3 tt -62.69 -35.63 80.32 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.165 0.586 . . . . 0.0 110.276 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.5 mm-40 -65.28 -38.62 90.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.013 0.925 . . . . 0.0 110.855 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -96.32 -2.41 45.88 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.085 0.554 . . . . 0.0 112.166 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.5 t80 -84.96 120.61 73.84 Favored Pre-proline 0 N--CA 1.481 1.089 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -175.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HG2' HD11 ' A' ' 55' ' ' LEU . 73.8 Cg_endo -73.78 -13.73 24.33 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.83 2.353 . . . . 0.0 113.143 -175.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD11 ' HG2' ' A' ' 54' ' ' PRO . 6.4 mp -85.2 130.77 50.61 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -81.17 98.09 1.02 Allowed 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 122.952 2.435 . . . . 0.0 111.07 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.519 HD11 ' HG ' ' A' ' 50' ' ' LEU . 76.3 mt -74.16 96.87 2.82 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.225 -176.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -99.89 0.17 40.79 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.915 0.886 . . . . 0.0 110.494 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -142.55 148.33 37.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.419 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.452 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -69.94 -20.5 76.22 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.881 173.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.56 -36.31 73.71 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.485 1.114 . . . . 0.0 110.999 169.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.4 mt-10 -80.82 -33.78 34.46 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.782 0.833 . . . . 0.0 110.833 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.09 62.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.123 0.569 . . . . 0.0 111.093 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 64.2 tttp -56.41 -36.01 68.44 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.061 1.344 . . . . 0.0 112.827 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 62' ' ' GLU . 17.6 pt -66.21 -25.6 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.033 0.533 . . . . 0.0 111.588 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -84.14 115.73 22.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.99 -13.89 62.72 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.027 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -59.9 -33.49 71.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.327 1.051 . . . . 0.0 111.345 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.41 -66.85 0.86 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.525 1.13 . . . . 0.0 108.412 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.04 152.35 20.01 Favored Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -169.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.47 -49.92 75.58 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.25 0.62 . . . . 0.0 112.291 -177.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -62.15 -40.27 95.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.536 0.734 . . . . 0.0 110.62 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 77' ' ' LEU . 2.0 tm? -58.57 -53.25 60.48 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 124.265 0.978 . . . . 0.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 60.9 m -66.72 -28.12 68.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.881 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -71.35 -35.89 71.33 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.835 0.71 . . . . 0.0 110.171 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 90.3 mmm -62.25 -48.13 81.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.83 0.452 . . . . 0.0 110.117 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 73' ' ' LEU . 10.9 mp -60.6 -40.76 92.97 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.702 0.801 . . . . 0.0 112.177 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.452 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 16.3 t70 -70.49 -42.83 70.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.638 0.775 . . . . 0.0 110.091 -175.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.9 mm-40 -66.25 -37.57 85.81 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.944 -1.026 . . . . 0.0 111.141 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -62.32 -48.27 80.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 0.0 111.517 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.86 -41.13 86.3 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 121.573 0.701 . . . . 0.0 109.622 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.59 -38.62 91.82 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.828 1.251 . . . . 0.0 111.317 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.9 mt-30 -73.2 -32.6 64.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 123.865 0.866 . . . . 0.0 110.448 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -60.77 -42.81 98.23 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.421 1.088 . . . . 0.0 109.879 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.53 -38.51 48.6 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.491 0.717 . . . . 0.0 111.599 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.94 75.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.726 0.811 . . . . 0.0 111.157 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.7 t -81.88 -27.62 33.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.631 0.772 . . . . 0.0 110.191 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.04 24.64 76.91 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 -173.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.91 91.12 1.71 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.552 1.039 0 C-N-CA 123.729 0.812 . . . . 0.0 109.627 -179.627 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 . . . . . 0 CA--C 1.564 1.494 0 CA-C-O 118.528 -0.749 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -86.01 41.65 0.88 Allowed 'Trans proline' 0 C--N 1.394 2.928 0 C-N-CA 121.971 1.78 . . . . 0.0 113.075 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -130.7 80.75 69.24 Favored Pre-proline 0 N--CA 1.483 1.186 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -86.1 -17.4 3.84 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.777 2.318 . . . . 0.0 112.978 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.32 149.67 6.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 123.544 0.738 . . . . 0.0 111.325 -173.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.1 131.94 80.36 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.652 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.5 75.6 4.86 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.391 2.06 . . . . 0.0 109.182 171.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -62.41 113.92 10.31 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.449 -168.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HD2' HG11 ' A' ' 22' ' ' VAL . 30.3 Cg_endo -93.21 -166.36 0.15 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.29 2.66 . . . . 0.0 112.572 173.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.81 -26.91 68.55 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.375 0.67 . . . . 0.0 112.079 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.63 -37.1 86.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.244 0.618 . . . . 0.0 112.195 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.449 HG11 ' HD2' ' A' ' 19' ' ' PRO . 36.0 m -67.55 -45.68 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 117.839 0.29 . . . . 0.0 110.992 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -68.38 -32.6 72.8 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.486 0.184 . . . . 0.0 110.752 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -66.74 -50.07 63.94 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.249 0.62 . . . . 0.0 110.61 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.18 -30.02 71.1 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.789 0.436 . . . . 0.0 111.417 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.8 m -70.0 -49.97 46.21 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.487 0.715 . . . . 0.0 111.104 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.13 -40.45 68.07 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 -174.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 39.7 m0 -64.59 -36.33 83.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.806 0.442 . . . . 0.0 110.69 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -56.15 -58.79 6.47 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.89 0.876 . . . . 0.0 110.957 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -79.05 -36.02 41.66 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.322 -168.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.012 0.525 . . . . 0.0 111.288 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 37' ' ' ARG . . . -63.2 -48.41 78.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.729 0.412 . . . . 0.0 110.063 175.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.516 ' HB3' ' HD2' ' A' ' 40' ' ' ARG . . . -61.44 -39.39 90.64 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.196 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 t -69.87 -30.15 67.55 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.267 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -85.27 -26.87 26.37 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.697 0.799 . . . . 0.0 110.685 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.73 -24.21 5.52 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.11 0.386 . . . . 0.0 112.805 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 31.7 mmt180 -58.88 134.92 57.34 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.874 0.869 . . . . 0.0 111.58 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -88.03 8.84 24.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.424 0.69 . . . . 0.0 110.312 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -69.53 -2.24 10.84 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.53 0.732 . . . . 0.0 111.623 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HD2' ' HB3' ' A' ' 33' ' ' ALA . 45.2 ttt180 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 123.088 0.555 . . . . 0.0 110.4 171.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -69.67 -35.93 75.57 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.142 -172.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.39 -37.57 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 117.864 0.302 . . . . 0.0 110.492 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -69.72 -29.31 66.67 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.376 0.67 . . . . 0.0 110.424 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.31 -54.99 18.22 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.41 1.084 . . . . 0.0 110.834 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -72.7 -28.46 62.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.806 0.442 . . . . 0.0 111.529 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.26 93.75 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.281 0.632 . . . . 0.0 109.938 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.36 -50.04 69.28 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.557 -1.202 . . . . 0.0 111.105 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.6 mmp_? -58.79 -39.29 80.65 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.854 0.862 . . . . 0.0 111.049 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 32.3 t -65.67 -45.46 82.79 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.359 176.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 HD13 HD12 ' A' ' 57' ' ' LEU . 45.0 tp -63.79 -39.14 93.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.941 0.896 . . . . 0.0 111.647 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -67.36 -41.57 84.89 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.478 0.711 . . . . 0.0 110.911 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -81.48 -20.82 39.38 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.636 0.374 . . . . 0.0 111.271 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 7.8 t80 -76.2 117.19 62.36 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.587 0.755 . . . . 0.0 110.047 -172.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -76.33 -17.55 16.63 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.978 2.452 . . . . 0.0 113.001 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 1.9 tm? -76.32 119.82 78.98 Favored Pre-proline 0 CA--C 1.554 1.131 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.18 101.93 1.18 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.607 2.205 . . . . 0.0 112.014 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.48 HD12 HD13 ' A' ' 50' ' ' LEU . 91.4 mt -77.06 101.7 6.18 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -84.27 -22.7 30.66 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.523 1.129 . . . . 0.0 110.413 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.8 m -136.71 158.61 44.04 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.187 0.995 . . . . 0.0 110.582 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.45 -16.48 79.97 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.999 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.2 -34.65 75.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.608 1.163 . . . . 0.0 110.519 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 65' ' ' ILE . 46.3 mt-10 -83.25 -26.78 30.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.258 0.623 . . . . 0.0 110.058 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.78 60.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.959 0.503 . . . . 0.0 111.569 173.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 56.0 tttp -62.62 -32.73 73.8 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.427 1.091 . . . . 0.0 111.389 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.4 pt -69.58 -11.79 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 122.687 0.395 . . . . 0.0 111.332 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mp -104.68 113.5 27.12 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.413 0.685 . . . . 0.0 109.647 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.61 -9.65 58.57 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.039 0.935 . . . . 0.0 111.111 173.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -57.67 -39.78 77.87 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.31 1.044 . . . . 0.0 110.581 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.489 ' HB3' HD22 ' A' ' 73' ' ' LEU . 3.1 m-85 -76.33 -54.39 6.84 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.58 145.38 18.93 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.211 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -50.31 -39.41 45.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.04 1.336 . . . . 0.0 113.408 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.411 ' NH2' ' HG3' ' A' ' 75' ' ' ARG . 5.1 mmp_? -73.43 -40.18 64.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.02 0.528 . . . . 0.0 111.455 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 69' ' ' PHE . 6.8 tt -69.56 -37.37 76.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.116 0.566 . . . . 0.0 109.719 178.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 71.9 m -63.19 -36.23 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.211 1.004 . . . . 0.0 110.051 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' HG3' ' NH2' ' A' ' 72' ' ' ARG . 20.4 mmt180 -67.14 -46.72 73.23 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.712 172.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.7 mmm -59.98 -39.81 86.98 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.256 0.551 . . . . 0.0 110.01 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.29 -45.13 70.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.094 1.358 . . . . 0.0 110.796 -174.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.63 -35.09 62.88 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 41.6 mt-10 -68.46 -38.86 81.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.81 0.844 . . . . 0.0 110.831 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.1 mmmt -64.38 -44.85 90.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.091 0.556 . . . . 0.0 110.949 173.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.8 tm? -61.56 -35.2 77.11 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -67.48 -40.9 85.28 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.5 mt-30 -65.48 -34.81 79.15 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.124 0.569 . . . . 0.0 109.873 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -59.67 -49.22 78.59 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 109.999 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 75.0 mt -72.67 -21.88 61.0 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.344 0.658 . . . . 0.0 112.077 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.8 -60.06 2.07 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.929 0.491 . . . . 0.0 111.054 -173.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.0 m -75.29 -37.94 60.61 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.254 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.7 -28.95 20.15 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 112.989 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.92 -85.92 0.77 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 124.113 0.965 . . . . 0.0 108.779 178.057 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.06 83.66 0.56 Allowed 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.562 2.175 . . . . 0.0 111.43 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 148.59 98.27 Favored Pre-proline 0 CA--C 1.556 1.191 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.61 -176.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -59.96 107.9 0.44 Allowed 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 122.898 2.398 . . . . 0.0 113.044 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.59 -31.57 32.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.252 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.7 m -85.63 160.79 52.67 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.524 1.129 . . . . 0.0 109.72 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.11 140.93 80.75 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 122.627 2.218 . . . . 0.0 112.034 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.45 136.6 95.93 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.72 0.808 . . . . 0.0 110.102 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' O ' HG11 ' A' ' 22' ' ' VAL . 26.8 Cg_endo -58.9 142.36 99.07 Favored 'Trans proline' 0 C--N 1.391 2.78 0 C-N-CA 123.166 2.578 . . . . 0.0 112.146 -177.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp -78.93 -28.6 43.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.543 0.737 . . . . 0.0 112.057 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -72.05 -21.13 61.57 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.158 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG11 ' O ' ' A' ' 19' ' ' PRO . 9.9 p -70.22 -39.65 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 118.016 0.371 . . . . 0.0 110.29 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -74.06 -36.49 64.34 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -65.18 -42.33 93.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.874 0.734 . . . . 0.0 111.296 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 HD21 HD12 ' A' ' 77' ' ' LEU . 73.0 mt -73.07 -30.88 64.01 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.484 0.314 . . . . 0.0 111.388 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.5 m -66.88 -47.72 70.98 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.164 0.29 . . . . 0.0 110.692 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.52 -43.89 68.7 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 123.514 0.509 . . . . 0.0 110.52 -175.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -65.18 -30.94 71.89 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 118.204 0.456 . . . . 0.0 111.613 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -68.59 -46.23 69.9 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.783 0.833 . . . . 0.0 110.96 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.36 -40.21 77.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.779 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -68.62 -35.41 77.27 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 124.067 0.947 . . . . 0.0 109.545 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.65 72.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.081 0.552 . . . . 0.0 111.132 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.78 63.06 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.002 0.43 . . . . 0.0 110.508 172.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -74.14 -21.73 59.74 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.619 0.768 . . . . 0.0 112.428 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -109.53 -1.61 18.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.587 0.755 . . . . 0.0 111.136 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.17 14.77 81.57 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.223 0.449 . . . . 0.0 114.223 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -67.6 135.47 52.95 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.775 0.83 . . . . 0.0 110.554 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -80.06 -9.39 59.69 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.308 0.643 . . . . 0.0 112.037 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -79.5 5.13 13.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.798 0.839 . . . . 0.0 112.781 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.5 -40.98 75.9 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.013 0.525 . . . . 0.0 112.167 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.77 -35.03 67.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 8.6 p -76.68 -32.06 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 122.489 0.316 . . . . 0.0 110.265 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.79 -33.17 72.0 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.844 0.458 . . . . 0.0 110.529 171.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -52.11 32.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.604 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 19.3 ptpt -71.48 -30.21 65.72 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.36 0.413 . . . . 0.0 111.442 -175.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.44 76.1 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.013 0.525 . . . . 0.0 109.918 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 54.6 tp -58.32 -50.76 72.49 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.819 173.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -60.59 -38.11 83.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.379 1.072 . . . . 0.0 110.615 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 t -69.14 -34.91 75.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.933 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.668 ' HG ' HD11 ' A' ' 57' ' ' LEU . 6.7 tt -73.24 -41.48 63.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.449 0.7 . . . . 0.0 109.565 178.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 57.6 mt-30 -61.87 -35.2 77.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.924 0.89 . . . . 0.0 111.578 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -85.68 -35.17 21.04 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 122.803 0.441 . . . . 0.0 111.81 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -72.83 118.19 66.09 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.274 0.63 . . . . 0.0 109.635 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.99 43.75 1.44 Allowed 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.844 2.363 . . . . 0.0 112.871 -173.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.7 tp -122.81 127.56 25.7 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 123.296 0.638 . . . . 0.0 109.781 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.55 89.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.559 2.839 . . . . 0.0 112.576 170.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.668 HD11 ' HG ' ' A' ' 50' ' ' LEU . 95.7 mt -82.47 91.29 6.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.183 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -109.03 -26.76 10.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.259 0.624 . . . . 0.0 109.864 169.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 m -86.0 123.91 31.85 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -65.48 -23.95 70.61 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 123.429 0.456 . . . . 0.0 113.781 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -58.85 -32.3 69.31 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.515 1.126 . . . . 0.0 111.451 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.28 6.8 35.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.551 0.74 . . . . 0.0 112.452 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.45 25.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 122.525 0.33 . . . . 0.0 110.851 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 34.7 ttpt -71.79 -15.68 62.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -173.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 pt -66.75 -19.33 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 122.492 0.317 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . 2.8 mp -97.46 141.0 31.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.27 0.628 . . . . 0.0 109.357 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -66.86 -28.08 68.05 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.098 0.959 . . . . 0.0 113.132 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -72.39 -21.21 61.31 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 7.4 m-85 -84.1 -81.62 0.17 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.99 179.93 41.38 Favored Glycine 0 N--CA 1.473 1.143 0 CA-C-O 120.093 -0.282 . . . . 0.0 112.408 -174.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.81 -48.05 80.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.76 0.824 . . . . 0.0 112.934 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.5 -46.22 83.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.285 0.634 . . . . 0.0 110.778 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -50.45 62.15 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.717 -176.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 38.8 t -61.28 -34.06 74.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.623 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.53 -34.96 75.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.711 0.632 . . . . 0.0 110.21 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.16 -52.05 67.35 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.715 0.406 . . . . 0.0 110.2 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD12 HD21 ' A' ' 25' ' ' LEU . 10.2 mp -62.91 -39.18 93.75 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.229 0.611 . . . . 0.0 111.949 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.464 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 25.7 t70 -74.72 -41.07 60.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 0.0 111.381 -174.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.5 mm-40 -64.4 -51.75 61.69 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.131 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -60.15 -42.56 95.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.991 0.517 . . . . 0.0 111.477 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 58' ' ' ARG . 2.8 tm? -62.87 -39.57 94.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.034 0.534 . . . . 0.0 109.881 177.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.626 ' HZ2' ' HB2' ' A' ' 82' ' ' LYS . 4.9 ttmp? -61.52 -39.69 91.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.585 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mm-40 -76.09 -35.62 59.28 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.488 0.315 . . . . 0.0 110.473 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -52.7 -50.63 62.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.963 1.305 . . . . 0.0 110.255 173.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 90' ' ' ASP . 90.3 mt -65.77 -50.3 65.26 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.265 176.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.84 -18.47 64.18 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -108.91 -13.09 14.81 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.987 0.515 . . . . 0.0 112.109 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.81 -56.02 0.02 OUTLIER Glycine 0 C--N 1.357 1.699 0 C-N-CA 120.693 -0.765 . . . . 0.0 114.927 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.39 -23.83 58.44 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 115.391 0.917 . . . . 0.0 115.391 -170.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 85' ' ' LEU . 20.8 t70 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 124.498 1.119 . . . . 0.0 108.965 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.593 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 2.7 Cg_exo -75.06 96.98 1.04 Allowed 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.301 2.001 . . . . 0.0 110.114 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -106.67 109.95 63.43 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.0 95.59 0.91 Allowed 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.367 2.045 . . . . 0.0 111.023 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -74.08 -6.01 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.483 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.0 m -85.1 107.5 12.03 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.247 1.019 . . . . 0.0 110.123 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.22 97.37 1.13 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.586 2.191 . . . . 0.0 110.559 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -155.88 -46.85 0.01 OUTLIER Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 124.09 0.956 . . . . 0.0 111.369 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.466 ' O ' HG22 ' A' ' 22' ' ' VAL . 38.4 Cg_exo -62.6 100.96 0.24 Allowed 'Trans proline' 0 C--N 1.394 2.934 0 CA-C-N 121.096 1.427 . . . . 0.0 110.408 168.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.99 -20.76 66.14 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.62 0.768 . . . . 0.0 112.218 -172.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.468 ' HB2' HD13 ' A' ' 50' ' ' LEU . 18.7 m-30 -70.26 -21.13 63.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.005 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 19' ' ' PRO . 19.9 m -66.28 -43.9 91.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -73.0 -34.91 66.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 122.562 0.345 . . . . 0.0 110.112 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -71.61 -34.72 70.1 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 123.747 0.654 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.512 HD23 HD22 ' A' ' 73' ' ' LEU . 71.4 mt -76.48 -28.27 56.41 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.583 0.353 . . . . 0.0 111.717 174.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.5 m -69.55 -49.46 54.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.849 0.459 . . . . 0.0 110.407 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.03 -38.87 83.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.499 0.319 . . . . 0.0 110.949 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -68.31 -40.29 81.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.066 0.546 . . . . 0.0 111.099 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HG2' ' NH1' ' A' ' 40' ' ' ARG . 19.9 ttp85 -62.41 -37.36 85.52 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 109.999 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -46.44 72.92 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.648 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.51 -35.27 79.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.576 0.75 . . . . 0.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.48 56.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.875 0.87 . . . . 0.0 111.206 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' HB1' ' NH1' ' A' ' 40' ' ' ARG . . . -75.67 -58.92 3.0 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 171.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.5 m -61.57 -46.67 88.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.406 1.082 . . . . 0.0 112.052 -172.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -81.54 -18.21 45.77 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.855 0.862 . . . . 0.0 110.59 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.92 82.1 0.45 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.64 144.24 50.97 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.03 0.932 . . . . 0.0 109.001 -174.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -61.29 -31.54 71.38 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.055 0.455 . . . . 0.0 110.44 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 p -67.97 -5.2 15.94 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.508 1.123 . . . . 0.0 113.545 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' NH1' ' HG2' ' A' ' 29' ' ' ARG . 20.4 tpt180 -51.01 -45.41 61.22 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.594 0.758 . . . . 0.0 111.125 173.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -73.06 -36.74 66.93 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.946 -174.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.46 -39.21 47.8 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 CA-C-N 117.509 0.14 . . . . 0.0 110.777 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.6 -33.15 73.55 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.844 0.457 . . . . 0.0 110.408 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -63.73 -56.28 16.82 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.96 0.904 . . . . 0.0 110.784 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -71.33 -29.39 64.95 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.604 0.565 . . . . 0.0 111.663 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.061 0.545 . . . . 0.0 110.361 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.7 tp -64.03 -42.52 97.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.483 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -63.89 -40.15 95.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.063 0.545 . . . . 0.0 111.231 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 69.9 m -65.11 -37.54 87.79 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.412 0.685 . . . . 0.0 110.842 176.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.621 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.5 tt -68.18 -39.79 82.42 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.529 0.732 . . . . 0.0 109.487 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.68 -44.83 92.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.556 0.742 . . . . 0.0 111.24 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.593 ' HA ' ' HB2' ' A' ' 12' ' ' PRO . 16.4 ptm180 -77.95 -17.66 56.94 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.574 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 49' ' ' SER . 3.3 t80 -77.62 118.78 74.24 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.041 0.536 . . . . 0.0 109.759 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -84.76 25.38 0.7 Allowed 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.841 2.36 . . . . 0.0 113.608 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -112.3 137.02 21.4 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 123.264 0.626 . . . . 0.0 109.521 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.0 93.18 1.08 Allowed 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.726 2.284 . . . . 0.0 111.345 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.621 HD12 ' HG ' ' A' ' 50' ' ' LEU . 65.8 mt -79.45 105.48 10.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.3 0.64 . . . . 0.0 110.387 -176.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -132.45 -3.68 3.38 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.713 0.805 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.654 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.8 t -120.84 138.05 54.25 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.77 -24.79 62.81 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 123.471 0.482 . . . . 0.0 113.356 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.6 -44.69 93.25 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.895 0.878 . . . . 0.0 110.163 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.654 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 15.3 mm-40 -72.17 -25.36 61.66 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.415 0.686 . . . . 0.0 110.975 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.94 -21.45 34.1 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.963 0.505 . . . . 0.0 111.273 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.562 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 52.2 tttm -72.68 -29.14 63.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.726 0.81 . . . . 0.0 112.035 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 pt -63.86 -17.42 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 122.702 0.401 . . . . 0.0 111.583 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.4 105.88 17.98 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.09 -9.56 58.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -65.25 -25.24 67.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.98 0.912 . . . . 0.0 110.368 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.664 ' HB3' HD21 ' A' ' 73' ' ' LEU . 1.5 m-30 -77.68 -50.82 11.67 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.924 0.89 . . . . 0.0 109.27 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.43 153.21 30.07 Favored Glycine 0 C--N 1.342 0.909 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.574 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.11 -46.39 44.77 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.816 1.246 . . . . 0.0 112.562 -174.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.19 -52.09 63.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.935 0.894 . . . . 0.0 110.224 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 69' ' ' PHE . 9.0 tt -65.3 -40.02 93.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.008 0.923 . . . . 0.0 110.906 -175.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 78.5 m -61.47 -37.67 84.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.565 0.746 . . . . 0.0 111.022 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.82 -35.42 67.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.036 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.5 mtp -64.43 -41.09 96.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.586 0.754 . . . . 0.0 110.802 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.26 -43.76 98.34 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.051 0.94 . . . . 0.0 110.955 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.36 -31.96 73.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.069 0.948 . . . . 0.0 111.147 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.48 -48.25 50.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.592 0.757 . . . . 0.0 110.519 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.62 -50.34 74.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.926 0.49 . . . . 0.0 110.817 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.26 -43.13 78.44 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 124.347 1.029 . . . . 0.0 110.203 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.614 ' HZ2' ' HB2' ' A' ' 82' ' ' LYS . 4.9 ttmp? -61.7 -49.88 74.71 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.167 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -74.66 -34.15 62.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.974 0.51 . . . . 0.0 111.124 -170.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.76 -52.9 54.53 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 124.029 0.831 . . . . 0.0 109.571 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.3 mt -70.77 -24.22 62.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.695 0.622 . . . . 0.0 111.257 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.1 -40.18 75.08 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.084 0.554 . . . . 0.0 109.987 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.0 t -77.52 -24.92 49.91 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.437 0.695 . . . . 0.0 110.88 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 164.27 130.34 1.12 Allowed Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.58 147.8 45.4 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 116.796 0.298 . . . . 0.0 113.19 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.936 -172.684 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.19 108.13 2.09 Favored 'Trans proline' 0 C--N 1.38 2.228 0 C-N-CA 122.713 2.276 . . . . 0.0 111.295 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.8 tp -141.89 73.74 22.77 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.908 0.883 . . . . 0.0 108.762 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -84.77 133.86 5.23 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 122.278 1.985 . . . . 0.0 111.881 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.99 -7.86 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.949 0.5 . . . . 0.0 111.562 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.6 m 66.2 172.28 0.09 OUTLIER Pre-proline 0 CA--C 1.571 1.765 0 C-N-CA 124.407 1.083 . . . . 0.0 112.062 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.86 -30.92 87.3 Favored 'Trans proline' 0 C--N 1.384 2.425 0 C-N-CA 122.424 2.083 . . . . 0.0 112.018 166.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.442 ' OD1' ' HG ' ' A' ' 20' ' ' LEU . 29.6 t-20 -155.9 116.85 2.25 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 174.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -75.31 7.48 2.96 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 122.889 2.392 . . . . 0.0 115.157 -171.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HG ' ' OD1' ' A' ' 18' ' ' ASN . 81.6 mt -53.37 -50.58 64.79 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -171.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -64.33 -45.46 87.74 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.3 -36.53 49.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -70.41 -42.51 71.54 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.35 0.26 . . . . 0.0 110.394 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.433 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 26.2 m0 -65.66 -43.09 90.45 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.526 0.517 . . . . 0.0 110.859 -176.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 73.1 mt -66.41 -34.34 77.73 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -74.76 -45.36 44.34 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 117.737 0.244 . . . . 0.0 111.189 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 13.1 pt-20 -72.41 -39.54 67.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.728 0.411 . . . . 0.0 110.819 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.417 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 51.7 m0 -72.51 -33.01 66.61 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.838 0.455 . . . . 0.0 109.986 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.4 ttm180 -60.07 -51.56 69.09 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.144 0.497 . . . . 0.0 110.283 171.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.1 -44.12 97.36 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.188 0.995 . . . . 0.0 110.625 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.38 -42.46 87.91 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.73 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.76 70.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.253 0.621 . . . . 0.0 111.1 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.81 88.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.663 0.785 . . . . 0.0 110.525 175.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -86.65 -29.82 22.23 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.363 0.665 . . . . 0.0 112.643 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -101.42 7.98 42.35 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.76 0.824 . . . . 0.0 112.024 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.79 28.07 72.46 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.525 0.516 . . . . 0.0 114.308 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.22 130.87 38.76 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.233 0.613 . . . . 0.0 109.424 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -78.0 -10.14 59.46 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.756 0.822 . . . . 0.0 110.885 -176.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.402 ' O ' HG11 ' A' ' 42' ' ' VAL . 18.8 p -68.2 -10.73 56.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.487 0.715 . . . . 0.0 112.052 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 23.4 ttp180 -51.78 -42.19 62.23 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.394 0.616 . . . . 0.0 110.953 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -68.7 -37.79 79.8 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 113.706 -1.588 . . . . 0.0 111.2 -175.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 39' ' ' THR . 9.9 p -76.14 -34.71 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 117.576 0.171 . . . . 0.0 110.56 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -68.09 -30.26 69.4 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.005 0.522 . . . . 0.0 110.063 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.424 ' HA ' HH21 ' A' ' 29' ' ' ARG . 52.7 tt0 -71.74 -54.9 8.77 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.918 0.887 . . . . 0.0 111.272 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -70.29 -32.79 70.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.763 0.664 . . . . 0.0 111.767 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.47 64.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.825 0.45 . . . . 0.0 110.713 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.527 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 57.5 tp -63.33 -45.85 89.35 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.4 -34.32 75.16 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.681 0.613 . . . . 0.0 110.727 -177.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -64.7 -40.87 96.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.616 0.767 . . . . 0.0 110.463 173.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 tp -73.18 -30.64 63.69 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.503 0.721 . . . . 0.0 111.003 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 19.6 mm-40 -68.04 -38.45 82.51 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.588 0.755 . . . . 0.0 110.839 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -84.29 -24.3 29.93 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.43 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 10.0 t80 -82.55 116.33 63.21 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.083 0.553 . . . . 0.0 109.549 -176.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -80.32 1.96 8.86 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.94 2.427 . . . . 0.0 113.539 -173.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 HD11 HD21 ' A' ' 57' ' ' LEU . 1.9 tm? -94.75 114.7 64.17 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.54 96.74 1.0 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.209 1.94 . . . . 0.0 110.624 173.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 63' ' ' ALA . 78.1 mt -52.53 -50.09 63.56 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.42 1.088 . . . . 0.0 111.677 -174.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 71.12 -61.04 0.49 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.258 1.423 . . . . 0.0 112.154 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -89.3 148.0 23.79 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.828 0.851 . . . . 0.0 110.001 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.49 -20.07 79.26 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.37 -33.36 75.66 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.429 0.614 . . . . 0.0 111.609 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.5 mt-10 -79.34 -9.77 59.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.679 . . . . 0.0 112.204 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -75.11 -17.47 60.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.811 0.444 . . . . 0.0 111.214 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -69.22 -33.92 74.05 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.045 0.938 . . . . 0.0 112.014 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 62' ' ' GLU . 27.6 pt -63.65 -32.98 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 120.813 0.34 . . . . 0.0 110.742 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 57' ' ' LEU . 96.1 mt -86.52 104.84 16.36 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.73 -22.55 65.47 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.892 1.277 . . . . 0.0 112.475 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -59.8 -33.2 71.41 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.597 0.759 . . . . 0.0 110.758 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -71.46 -70.28 0.33 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 171.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 176.46 51.24 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.81 -43.53 98.56 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.03 -45.69 87.77 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.886 0.474 . . . . 0.0 110.952 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -69.56 -48.96 58.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.851 0.86 . . . . 0.0 109.67 -176.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 38.7 t -55.58 -38.45 69.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.62 1.168 . . . . 0.0 110.891 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -67.9 -46.92 70.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.504 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 86.4 mmm -55.22 -53.75 52.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 111.499 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 73' ' ' LEU . 8.0 mp -67.54 -32.02 72.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.987 0.515 . . . . 0.0 111.69 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.28 -47.1 65.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.119 0.568 . . . . 0.0 110.828 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 61.6 mt-10 -69.54 -46.46 66.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.945 0.898 . . . . 0.0 110.747 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.417 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 28.8 mmmt -64.39 -41.59 96.58 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.548 0.739 . . . . 0.0 111.141 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 57.0 tp -54.2 -48.39 71.04 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.863 0.727 . . . . 0.0 109.19 174.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.08 -40.57 94.19 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.487 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 78.2 mt-30 -65.47 -39.21 91.7 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.414 0.626 . . . . 0.0 110.632 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -70.51 -46.69 63.19 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.168 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 63.9 mt -74.24 -28.02 61.04 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.959 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.55 70.6 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.275 0.63 . . . . 0.0 110.657 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.1 t -69.22 -34.61 75.13 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.968 174.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.74 43.3 36.04 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.772 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.94 175.94 22.81 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-N 114.865 -0.668 . . . . 0.0 111.767 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 123.78 0.832 . . . . 0.0 108.832 -179.526 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.08 104.7 1.82 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.248 1.965 . . . . 0.0 111.747 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.02 123.2 87.64 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 122.939 0.496 . . . . 0.0 109.938 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -83.83 49.52 2.88 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.46 2.773 . . . . 0.0 112.555 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.33 -2.1 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.306 1.442 . . . . 0.0 113.381 -175.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.7 p -62.26 121.2 64.86 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 123.645 0.778 . . . . 0.0 109.475 170.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.66 100.43 0.11 Allowed 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 122.937 2.424 . . . . 0.0 112.233 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -110.95 98.33 38.1 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.137 0.975 . . . . 0.0 110.172 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.82 -60.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.838 2.358 . . . . 0.0 110.645 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp -171.4 -34.75 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.539 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -65.37 -33.41 75.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.265 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -55.25 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 122.611 0.364 . . . . 0.0 110.765 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -60.33 -34.25 73.56 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 122.992 0.182 . . . . 0.0 111.008 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -65.61 -47.44 75.67 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.473 0.709 . . . . 0.0 111.392 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.73 -28.37 68.37 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.946 0.498 . . . . 0.0 111.354 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -71.3 -51.62 23.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.889 0.876 . . . . 0.0 110.846 177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 12.7 pt-20 -68.11 -42.6 80.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.474 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.0 -35.63 76.9 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.217 0.607 . . . . 0.0 110.718 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -41.99 91.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.681 0.793 . . . . 0.0 110.771 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.34 -37.76 68.79 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.767 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 50.3 mm-40 -61.19 -42.13 98.03 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . . . -72.85 -21.2 60.98 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.025 0.93 . . . . 0.0 112.093 -178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -76.29 -49.83 15.96 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.043 0.537 . . . . 0.0 110.697 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -74.6 -52.85 10.64 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.581 0.753 . . . . 0.0 111.481 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -68.29 -27.89 66.71 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.97 0.908 . . . . 0.0 110.821 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.64 83.5 0.67 Allowed Glycine 0 C--N 1.351 1.362 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 32' ' ' ALA . 54.2 mtp180 -130.74 145.1 51.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.391 1.076 . . . . 0.0 109.214 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -68.48 -22.09 64.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.098 0.959 . . . . 0.0 112.007 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.4 p -78.68 -5.6 53.51 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 13.3 ttp180 -52.42 -40.81 62.6 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.393 0.616 . . . . 0.0 111.674 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -71.17 -44.39 65.6 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.112 -1.404 . . . . 0.0 111.21 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.19 -34.04 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.122 0.169 . . . . 0.0 110.631 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -64.79 -42.37 95.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.035 0.534 . . . . 0.0 109.962 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -65.16 -45.2 85.92 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.131 0.973 . . . . 0.0 111.914 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -65.32 -48.8 71.8 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.608 0.763 . . . . 0.0 110.477 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.32 90.52 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.559 177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.479 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 55.2 tp -61.35 -52.13 65.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.982 0.913 . . . . 0.0 110.513 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -46.75 87.82 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.989 0.916 . . . . 0.0 110.252 -176.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -60.23 -43.35 96.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.483 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.685 ' HG ' HD13 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -66.97 -40.1 87.37 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.143 0.577 . . . . 0.0 110.313 -177.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.479 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 46.2 mt-30 -68.07 -27.01 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.676 0.79 . . . . 0.0 112.325 -177.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 ptt85 -95.42 -22.61 17.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.655 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' HE2' HD22 ' A' ' 57' ' ' LEU . 12.4 t80 -76.87 117.66 66.41 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 123.889 0.876 . . . . 0.0 109.595 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.87 32.04 0.51 Allowed 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 123.124 2.549 . . . . 0.0 113.787 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD13 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -124.44 119.28 26.13 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -67.65 96.78 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.326 2.017 . . . . 0.0 111.573 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.685 HD13 ' HG ' ' A' ' 50' ' ' LEU . 77.7 mt -68.09 104.05 1.68 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.363 0.665 . . . . 0.0 110.065 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -98.96 -10.67 22.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.836 0.854 . . . . 0.0 111.157 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.5 m -142.31 154.09 44.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.157 0.583 . . . . 0.0 111.031 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.538 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.79 -24.11 71.17 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.465 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.88 -48.4 70.11 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.16 0.984 . . . . 0.0 110.398 169.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.3 mt-10 -75.68 -32.54 60.18 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.747 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.517 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -73.44 -29.3 62.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.555 0.742 . . . . 0.0 111.896 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.1 ttpt -68.66 -23.96 64.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.491 1.116 . . . . 0.0 112.603 -172.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 62' ' ' GLU . 24.0 pt -73.64 -18.39 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.386 0.275 . . . . 0.0 111.216 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -95.6 117.77 31.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -73.28 -16.29 61.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -67.8 -18.71 64.94 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.082 0.553 . . . . 0.0 111.545 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -83.39 -75.27 0.33 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 174.11 38.48 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 116.706 -0.225 . . . . 0.0 112.84 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.33 -59.61 4.71 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.885 0.874 . . . . 0.0 112.065 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -54.74 -48.19 72.88 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.501 1.12 . . . . 0.0 111.505 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.407 HD11 HD11 ' A' ' 77' ' ' LEU . 1.5 tm? -63.15 -52.3 62.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.791 1.236 . . . . 0.0 110.235 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 63.3 m -64.3 -34.45 78.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.162 0.585 . . . . 0.0 111.737 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.97 -41.27 91.4 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.89 0.744 . . . . 0.0 111.055 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.6 mtp -61.51 -51.07 70.15 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 HD11 HD11 ' A' ' 73' ' ' LEU . 6.9 mp -58.28 -41.97 85.52 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.819 0.848 . . . . 0.0 112.092 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.538 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 29.5 t70 -73.01 -43.07 62.55 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.832 0.853 . . . . 0.0 110.851 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.4 mm-40 -65.6 -43.27 90.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -61.5 -43.43 98.87 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.217 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.91 -41.21 95.66 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.782 0.833 . . . . 0.0 109.42 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -61.99 -40.08 94.41 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.34 1.056 . . . . 0.0 110.743 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 53.8 mt-30 -70.67 -33.45 70.96 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.153 0.501 . . . . 0.0 109.834 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -70.24 -32.08 69.77 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.886 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.67 -34.84 58.21 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.96 0.504 . . . . 0.0 110.416 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.61 -38.21 62.63 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.608 0.763 . . . . 0.0 111.824 -174.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -111.18 -9.71 14.33 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.406 0.682 . . . . 0.0 111.971 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.61 -48.74 3.58 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -173.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.89 166.1 39.18 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 109.919 -1.273 . . . . 0.0 109.919 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--O 1.253 1.266 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.337 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HB3' ' HD3' ' A' ' 12' ' ' PRO . 43.6 ttm-85 . . . . . 0 CA--C 1.565 1.527 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.52 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' ' 11' ' ' ARG . 11.4 Cg_exo -72.77 -43.35 0.87 Allowed 'Trans proline' 0 C--N 1.395 2.975 0 C-N-CA 121.762 1.641 . . . . 0.0 111.923 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -159.53 156.06 24.38 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.058 1.343 . . . . 0.0 108.188 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.43 -49.59 10.24 Favored 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.526 2.151 . . . . 0.0 112.343 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -91.56 90.82 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 123.155 0.582 . . . . 0.0 109.636 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.0 t -67.22 137.31 94.04 Favored Pre-proline 0 N--CA 1.48 1.045 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.809 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.13 80.12 0.39 Allowed 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.098 2.532 . . . . 0.0 113.044 -175.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.93 117.5 57.51 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 124.27 1.028 . . . . 0.0 108.978 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.523 ' HD2' HD22 ' A' ' 50' ' ' LEU . 74.5 Cg_endo -72.89 -169.42 0.5 Allowed 'Trans proline' 0 C--N 1.37 1.66 0 C-N-CA 122.89 2.393 . . . . 0.0 112.248 173.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.03 -15.82 63.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 122.2 -0.313 . . . . 0.0 111.443 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -63.95 -22.46 66.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.475 0.71 . . . . 0.0 111.697 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 19' ' ' PRO . 7.6 p -62.5 -53.1 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.145 0.43 . . . . 0.0 110.53 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 ptt85 -70.89 -33.11 70.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -67.56 -45.67 74.94 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 123.809 0.693 . . . . 0.0 111.125 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.492 HD23 HD22 ' A' ' 73' ' ' LEU . 95.2 mt -65.05 -32.01 73.51 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.501 0.32 . . . . 0.0 111.284 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.52 HG22 HH21 ' A' ' 29' ' ' ARG . 90.0 m -68.66 -50.26 52.57 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.44 0.696 . . . . 0.0 111.336 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 11.0 pt-20 -73.33 -39.63 65.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -172.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.422 ' HZ3' HD11 ' A' ' 77' ' ' LEU . 47.8 m0 -71.73 -31.12 66.36 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.979 0.512 . . . . 0.0 110.757 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.52 HH21 HG22 ' A' ' 26' ' ' THR . 22.0 ttp180 -60.18 -46.67 88.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.549 0.74 . . . . 0.0 110.388 169.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.62 -32.1 69.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.312 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 14.0 mm-40 -74.13 -30.94 62.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.186 0.594 . . . . 0.0 110.617 174.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -74.72 -21.95 59.09 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.596 0.359 . . . . 0.0 111.21 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.53 -42.52 14.34 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.49 0.716 . . . . 0.0 110.403 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -74.66 -48.82 24.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.773 0.829 . . . . 0.0 111.245 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -82.56 -3.0 55.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.912 0.885 . . . . 0.0 111.336 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.6 40.04 90.64 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.204 0.315 . . . . 0.0 113.342 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.452 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 36.6 mmt180 -87.01 -16.31 36.07 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.411 0.684 . . . . 0.0 111.526 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m80 71.12 -13.2 0.53 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.498 1.519 . . . . 0.0 113.826 173.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 p -73.74 5.44 4.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.914 0.886 . . . . 0.0 112.607 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -56.48 -30.1 62.53 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 123.593 0.757 . . . . 0.0 111.68 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.21 -39.76 71.55 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.753 0.821 . . . . 0.0 112.082 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.62 -36.55 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -70.13 -30.27 67.41 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.507 0.723 . . . . 0.0 110.981 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.94 -49.22 25.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.588 1.155 . . . . 0.0 111.431 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.9 -32.09 70.24 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.446 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.32 81.47 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.098 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.2 tp -59.48 -50.48 73.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.629 0.772 . . . . 0.0 110.92 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -60.26 -48.12 83.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 78.1 p -66.43 -32.73 74.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' HD2' ' A' ' 19' ' ' PRO . 8.6 tt -66.7 -36.82 83.41 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.394 0.678 . . . . 0.0 110.397 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.7 mm-40 -69.86 -30.55 68.05 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 121.246 0.546 . . . . 0.0 110.731 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -91.9 -3.64 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.093 0.957 . . . . 0.0 111.353 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 7.0 t80 -105.02 100.39 24.26 Favored Pre-proline 0 N--CA 1.481 1.104 0 C-N-CA 123.799 0.84 . . . . 0.0 109.056 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -78.07 4.28 6.32 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.955 2.437 . . . . 0.0 113.787 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.484 HD22 ' HD2' ' A' ' 56' ' ' PRO . 2.9 tm? -82.08 118.26 71.39 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HD2' HD22 ' A' ' 55' ' ' LEU . 53.2 Cg_endo -67.43 94.01 0.36 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.839 2.359 . . . . 0.0 112.578 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.86 82.84 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 108.986 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -81.67 -22.01 37.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 122.108 -0.37 . . . . 0.0 110.457 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -111.64 140.33 46.35 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.467 1.107 . . . . 0.0 108.246 171.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.64 -12.47 84.19 Favored Glycine 0 C--O 1.221 -0.674 0 CA-C-O 119.813 -0.437 . . . . 0.0 113.432 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 87.9 tttt -67.33 -22.11 65.62 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.008 0.523 . . . . 0.0 110.231 171.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.53 ' O ' HG12 ' A' ' 65' ' ' ILE . 35.6 mt-10 -74.03 -15.18 61.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.351 0.66 . . . . 0.0 111.362 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.28 -15.24 62.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.928 0.491 . . . . 0.0 111.039 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -64.67 -37.31 87.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.633 0.773 . . . . 0.0 111.338 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 62' ' ' GLU . 10.2 pt -69.86 -9.23 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 120.552 0.215 . . . . 0.0 111.117 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -109.47 108.82 19.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 166.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -68.37 -12.64 61.43 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.825 0.85 . . . . 0.0 111.796 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -62.99 -31.92 73.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.98 0.912 . . . . 0.0 111.091 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.638 ' HB3' HD21 ' A' ' 73' ' ' LEU . 1.2 m-85 -80.39 -55.24 5.03 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.96 163.71 36.24 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.897 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.83 93.16 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.98 0.912 . . . . 0.0 112.99 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.16 -43.53 82.02 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.356 0.662 . . . . 0.0 111.082 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 69' ' ' PHE . 9.1 tt -72.27 -37.86 68.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 61' ' ' LYS . 14.6 t -59.46 -39.86 85.01 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.824 0.85 . . . . 0.0 110.372 174.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.06 -42.46 80.46 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.397 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.413 ' HA ' ' HE3' ' A' ' 76' ' ' MET . 2.9 mmt -57.61 -53.22 60.59 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.321 0.648 . . . . 0.0 110.752 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.422 HD11 ' HZ3' ' A' ' 28' ' ' TRP . 8.0 mp -60.01 -41.51 92.31 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.805 0.842 . . . . 0.0 111.886 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.74 -47.0 73.64 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.302 0.572 . . . . 0.0 110.945 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 49.5 mt-10 -68.76 -43.42 75.85 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.16 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -66.17 -35.73 81.22 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.416 0.687 . . . . 0.0 111.757 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.7 tm? -62.97 -44.24 96.6 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.31 -32.78 72.64 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.041 0.936 . . . . 0.0 111.181 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.5 mm-40 -75.55 -32.02 60.28 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.302 0.501 . . . . 0.0 110.101 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -65.71 -30.65 71.35 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.488 0.715 . . . . 0.0 110.502 173.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 73.5 mt -79.41 -51.84 8.86 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.683 0.393 . . . . 0.0 110.648 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.98 69.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.978 0.911 . . . . 0.0 111.863 -171.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.0 t -91.66 -29.9 16.61 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.432 0.693 . . . . 0.0 110.927 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.97 -113.66 3.83 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.9 26.32 0.12 Allowed Glycine 0 C--N 1.342 0.865 0 O-C-N 123.648 0.264 . . . . 0.0 112.497 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 C--O 1.25 1.1 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.569 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.05 134.05 26.47 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.299 1.999 . . . . 0.0 111.416 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.8 tp -147.93 77.24 10.24 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 122.828 0.451 . . . . 0.0 110.548 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.95 123.51 3.2 Favored 'Trans proline' 0 C--N 1.369 1.646 0 C-N-CA 122.597 2.198 . . . . 0.0 109.9 167.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.02 107.06 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-O 121.666 0.746 . . . . 0.0 110.342 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.8 p -109.48 93.07 12.95 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 124.162 0.985 . . . . 0.0 109.04 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HG2' ' HD2' ' A' ' 58' ' ' ARG . 56.5 Cg_endo -92.05 46.58 0.48 Allowed 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 123.34 2.693 . . . . 0.0 111.369 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 59.87 78.61 0.33 Allowed Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.932 1.293 . . . . 0.0 110.279 -169.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -67.4 -31.81 33.73 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.755 2.303 . . . . 0.0 113.46 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.1 mt 73.39 -35.52 0.32 Allowed 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.881 1.673 . . . . 0.0 112.573 -171.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.46 -21.3 66.63 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.802 0.841 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.64 -56.65 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.138 0.426 . . . . 0.0 109.986 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -62.28 -38.52 89.66 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 48.2 m0 -67.2 -47.97 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.143 0.577 . . . . 0.0 111.783 -177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD22 HD13 ' A' ' 77' ' ' LEU . 87.2 mt -64.08 -28.71 69.97 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.728 0.411 . . . . 0.0 111.227 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.4 m -72.63 -47.2 49.57 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.064 0.545 . . . . 0.0 111.503 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 11.6 pt-20 -72.83 -35.31 67.25 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.508 0.323 . . . . 0.0 111.281 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.442 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 41.3 m0 -74.71 -30.69 61.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.217 0.607 . . . . 0.0 110.491 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -61.55 -43.05 99.57 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.714 0.806 . . . . 0.0 109.961 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.28 -37.44 80.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.462 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 82.4 mt-10 -63.86 -40.35 96.37 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.582 0.706 . . . . 0.0 109.98 172.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HB1' ' HB3' ' A' ' 40' ' ' ARG . . . -68.7 -20.21 64.4 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.874 -0.517 . . . . 0.0 111.872 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.72 -35.71 22.31 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.395 0.678 . . . . 0.0 111.737 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 p -100.06 -56.29 2.41 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.332 0.653 . . . . 0.0 112.758 -171.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.1 -40.91 91.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.208 1.003 . . . . 0.0 110.504 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.07 35.83 4.66 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.873 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -70.33 -25.55 63.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.55 0.74 . . . . 0.0 109.91 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.2 m170 73.38 -18.72 0.36 Allowed 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 125.788 1.635 . . . . 0.0 113.285 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 p -75.31 11.16 1.28 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.435 1.094 . . . . 0.0 112.616 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HB3' ' HB1' ' A' ' 32' ' ' ALA . 28.0 ptt180 -59.56 -23.2 62.69 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.759 0.824 . . . . 0.0 112.033 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -75.61 -41.96 53.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.565 0.746 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -77.15 -35.34 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 117.763 0.256 . . . . 0.0 110.933 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -64.67 -31.9 73.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.105 0.562 . . . . 0.0 109.869 172.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.13 -53.19 32.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.189 0.596 . . . . 0.0 110.298 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -63.65 -41.63 98.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.022 0.529 . . . . 0.0 111.818 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.4 91.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.59 0.756 . . . . 0.0 110.549 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.47 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 53.8 tp -67.36 -51.05 56.95 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.948 0.899 . . . . 0.0 111.278 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 24.6 mmt180 -63.92 -44.89 91.55 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.004 0.922 . . . . 0.0 110.164 -175.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 90.5 p -62.68 -40.54 97.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.699 ' HG ' HD13 ' A' ' 57' ' ' LEU . 5.3 tt -60.23 -41.85 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.056 0.942 . . . . 0.0 109.593 177.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.47 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.8 mt-30 -70.57 -21.41 62.69 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.526 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 48' ' ' ARG . 62.8 mtp180 -102.43 -5.79 23.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.299 0.64 . . . . 0.0 111.001 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.4 t80 -97.53 112.33 60.98 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.798 0.839 . . . . 0.0 108.765 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.63 33.72 0.47 Allowed 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 123.014 2.476 . . . . 0.0 113.001 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.85 145.7 32.92 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.862 0.865 . . . . 0.0 108.98 172.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -74.17 92.24 0.92 Allowed 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.855 2.37 . . . . 0.0 112.152 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.699 HD13 ' HG ' ' A' ' 50' ' ' LEU . 42.2 mt -89.52 72.84 7.86 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HD2' ' HG2' ' A' ' 17' ' ' PRO . 76.2 mtp180 -97.64 -40.66 8.5 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 0.0 110.058 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -95.43 149.71 21.09 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.327 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.472 ' O ' ' SG ' ' A' ' 74' ' ' CYS . . . -60.89 -32.47 79.81 Favored Glycine 0 C--N 1.351 1.396 0 O-C-N 123.426 0.454 . . . . 0.0 112.578 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -49.5 -37.58 27.01 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.501 1.121 . . . . 0.0 111.868 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.5 mm-40 -83.8 -37.95 21.9 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.748 0.819 . . . . 0.0 111.068 -177.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.41 64.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.937 0.495 . . . . 0.0 111.59 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 35.1 ttpt -75.02 -19.7 59.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.298 1.039 . . . . 0.0 112.33 -175.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.0 pt -71.91 -20.05 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -94.12 135.64 35.27 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -85.22 -9.28 57.96 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.809 0.844 . . . . 0.0 110.833 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -58.56 -41.77 86.41 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.798 0.809 . . . . 0.0 109.351 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.88 -73.06 0.31 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.869 -1.514 . . . . 0.0 107.544 166.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.12 173.47 47.53 Favored Glycine 0 C--N 1.341 0.829 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -166.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.46 -41.31 84.87 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -76.8 -36.53 56.89 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.797 0.439 . . . . 0.0 111.97 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.29 -49.5 73.79 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 44.0 t -64.78 -26.13 68.22 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.764 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -62.17 -44.24 97.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.9 mmm -57.13 -48.38 78.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.818 0.447 . . . . 0.0 110.613 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 HD13 HD22 ' A' ' 25' ' ' LEU . 10.5 mp -62.69 -42.95 99.9 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.428 0.691 . . . . 0.0 112.693 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.3 -40.42 62.27 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.54 -172.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -59.35 -49.82 76.36 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.204 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.442 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.9 mmmt -63.86 -41.56 97.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.404 0.682 . . . . 0.0 112.079 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.2 tm? -58.88 -46.31 88.11 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -64.74 -34.96 79.57 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.591 1.156 . . . . 0.0 111.741 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -72.33 -34.39 68.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.014 0.526 . . . . 0.0 110.093 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -68.2 -38.56 82.11 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.222 1.009 . . . . 0.0 109.396 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 91.8 mt -66.84 -47.42 72.04 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.94 0.896 . . . . 0.0 110.724 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.66 -20.51 62.7 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.907 0.883 . . . . 0.0 112.12 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.2 t -87.29 -64.8 1.09 Allowed 'General case' 0 C--O 1.24 0.598 0 C-N-CA 123.24 0.616 . . . . 0.0 110.671 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.49 -50.09 3.99 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.137 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.92 -66.8 2.11 Favored Glycine 0 C--N 1.349 1.286 0 N-CA-C 111.74 -0.544 . . . . 0.0 111.74 175.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.249 1.037 0 C-N-CA 123.265 0.626 . . . . 0.0 109.526 173.834 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.99 90.01 0.87 Allowed 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.577 2.185 . . . . 0.0 110.226 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.0 mt -122.81 145.56 45.76 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 123.413 0.685 . . . . 0.0 110.238 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.9 93.51 0.21 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.968 2.446 . . . . 0.0 112.413 174.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.53 8.51 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.839 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.92 147.89 86.6 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 123.856 0.863 . . . . 0.0 110.447 173.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -79.75 -4.49 13.48 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 123.093 2.528 . . . . 0.0 113.862 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -75.3 -54.67 2.39 Favored Pre-proline 0 CA--C 1.563 1.446 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.397 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -80.23 84.05 2.1 Favored 'Trans proline' 0 C--N 1.394 2.929 0 C-N-CA 121.759 1.64 . . . . 0.0 111.642 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.44 -48.01 76.95 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.43 -175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.419 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 4.7 m-30 -60.05 -48.58 81.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.52 ' HB ' HD21 ' A' ' 50' ' ' LEU . 5.8 p -64.26 -46.88 92.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 123.347 0.404 . . . . 0.0 111.403 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.51 -29.9 69.44 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.43 0.292 . . . . 0.0 110.86 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.451 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 36.6 m0 -69.03 -47.06 66.35 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.555 0.534 . . . . 0.0 111.035 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.83 -28.48 69.88 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.316 0.246 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.5 m -71.63 -51.49 22.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.378 0.671 . . . . 0.0 110.783 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.8 pt-20 -72.33 -35.2 68.53 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.861 0.464 . . . . 0.0 111.192 -172.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -72.8 -35.34 67.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.042 0.537 . . . . 0.0 110.245 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -67.15 -35.45 79.73 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.152 0.581 . . . . 0.0 110.632 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.87 -35.63 67.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.461 0.704 . . . . 0.0 110.605 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.27 -29.47 65.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.603 0.761 . . . . 0.0 109.758 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' HB3' ' HB2' ' A' ' 40' ' ' ARG . . . -74.92 -23.08 58.29 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.932 0.493 . . . . 0.0 111.414 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.29 -43.9 20.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.42 0.688 . . . . 0.0 110.08 172.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -77.52 -61.84 1.86 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 111.029 -174.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -73.52 -56.77 4.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.893 0.877 . . . . 0.0 109.762 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.99 73.51 0.56 Allowed Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.214 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.417 ' H ' ' HA ' ' A' ' 32' ' ' ALA . 39.8 mmt180 -92.62 146.32 23.75 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 175.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.37 -33.8 69.88 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.607 0.718 . . . . 0.0 109.89 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 p -76.51 10.09 2.32 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 114.658 -1.155 . . . . 0.0 113.589 -174.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 51.9 ttp180 -55.54 -39.04 70.06 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.64 0.776 . . . . 0.0 112.233 179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.56 -42.63 82.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.041 0.937 . . . . 0.0 111.398 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.456 HG12 HD23 ' A' ' 73' ' ' LEU . 7.9 p -76.1 -29.85 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.682 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.919 0.488 . . . . 0.0 109.946 172.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.34 -56.61 13.23 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.223 1.009 . . . . 0.0 111.286 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -68.84 -30.34 68.86 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.34 0.4 . . . . 0.0 111.547 -173.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.52 69.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.595 0.559 . . . . 0.0 110.725 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 46.0 tp -61.87 -49.39 76.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.192 0.597 . . . . 0.0 110.513 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -37.71 78.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.548 0.739 . . . . 0.0 109.669 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.616 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HG ' HD13 ' A' ' 57' ' ' LEU . 5.3 tt -70.31 -37.01 74.66 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.503 0.721 . . . . 0.0 109.54 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.7 mm100 -61.04 -45.31 95.3 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.663 0.785 . . . . 0.0 111.276 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -82.33 -20.71 36.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.357 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 17.2 t80 -85.36 111.84 39.6 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' TYR . 7.7 Cg_exo -73.12 -23.45 18.14 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 123.078 2.518 . . . . 0.0 113.223 -172.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 2.1 tm? -65.88 115.91 27.37 Favored Pre-proline 0 CA--C 1.551 0.991 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -68.38 102.41 0.82 Allowed 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.928 2.419 . . . . 0.0 111.497 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.531 HD13 ' HG ' ' A' ' 50' ' ' LEU . 85.9 mt -72.22 101.01 2.72 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.359 0.664 . . . . 0.0 109.808 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -103.2 -39.65 6.76 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.314 1.046 . . . . 0.0 110.004 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -110.24 145.98 36.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.955 0.902 . . . . 0.0 109.272 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.663 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.82 -19.32 67.33 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 116.693 -0.23 . . . . 0.0 112.92 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -51.27 -48.25 62.25 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.662 1.185 . . . . 0.0 110.732 165.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 mt-10 -75.41 -38.27 59.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.738 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -69.53 -36.93 76.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.313 0.645 . . . . 0.0 112.384 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 6.4 ttpm? -71.31 -22.63 61.91 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.417 0.687 . . . . 0.0 112.271 -171.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.3 pt -63.65 -27.17 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.801 0.441 . . . . 0.0 111.618 -174.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.3 143.33 32.32 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.668 0.387 . . . . 0.0 110.503 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -86.73 36.54 0.72 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.711 1.204 . . . . 0.0 110.538 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -132.73 -30.37 1.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.454 1.102 . . . . 0.0 109.408 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.88 -78.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.3 -177.93 50.52 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-N 116.285 -0.416 . . . . 0.0 113.123 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -66.89 -45.98 76.34 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.557 0.743 . . . . 0.0 112.71 -172.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -61.43 -48.63 80.3 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.367 0.667 . . . . 0.0 111.201 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD23 HG12 ' A' ' 42' ' ' VAL . 2.2 tm? -62.75 -52.08 64.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.357 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 30.9 t -59.46 -33.61 71.51 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.141 0.901 . . . . 0.0 111.751 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.24 -44.73 87.27 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.394 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.5 mtp -70.04 -40.05 75.36 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.87 -51.46 22.21 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.675 1.19 . . . . 0.0 111.903 -172.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.663 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 37.8 t70 -75.93 -34.03 59.87 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.111 0.964 . . . . 0.0 112.827 -175.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' HG2' HE21 ' A' ' 83' ' ' GLN . 30.7 tt0 -66.95 -44.63 80.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.857 0.463 . . . . 0.0 110.015 176.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -55.36 -46.82 76.45 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.663 171.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . 23.7 tp -53.31 -45.67 69.1 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.808 0.843 . . . . 0.0 110.648 175.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.88 -44.28 93.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.414 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.518 HE21 ' HG2' ' A' ' 79' ' ' GLU . 78.5 mt-30 -73.54 -33.45 64.72 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.896 0.478 . . . . 0.0 110.285 -174.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.78 -48.86 67.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.659 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.7 -18.33 48.24 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.65 0.78 . . . . 0.0 111.655 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.36 -36.42 63.59 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.859 0.464 . . . . 0.0 109.864 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.2 t -77.36 -61.63 1.92 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.661 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.04 -124.66 0.89 Allowed Glycine 0 C--N 1.347 1.187 0 CA-C-N 116.463 -0.335 . . . . 0.0 112.767 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.35 -173.28 25.82 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 117.068 0.434 . . . . 0.0 112.396 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.084 178.321 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.31 139.75 61.24 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 122.532 2.155 . . . . 0.0 109.836 166.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.94 98.23 0.17 Allowed Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 124.406 1.066 . . . . 0.0 112.099 -174.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' O ' ' HG3' ' A' ' 56' ' ' PRO . 83.6 Cg_endo -92.33 92.92 0.19 Allowed 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.652 2.235 . . . . 0.0 112.075 -167.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.78 101.81 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 171.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' HB3' ' HG3' ' A' ' 19' ' ' PRO . 52.9 t -55.33 136.97 68.93 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 124.186 0.929 . . . . 0.0 110.522 -178.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -46.65 -39.63 23.42 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 123.584 2.856 . . . . 0.0 113.079 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -147.33 95.78 4.3 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 124.489 1.116 . . . . 0.0 108.42 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HG3' ' HB3' ' A' ' 16' ' ' CYS . 7.2 Cg_exo -77.01 2.27 7.77 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 123.506 2.804 . . . . 0.0 113.376 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.2 mt 76.47 -53.58 0.59 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 126.187 1.795 . . . . 0.0 111.615 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -55.71 -38.99 70.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.081 1.352 . . . . 0.0 111.556 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.03 -40.1 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.267 0.627 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -65.07 -48.99 71.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.855 0.862 . . . . 0.0 109.242 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -67.86 -43.58 79.11 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 124.05 0.844 . . . . 0.0 111.04 -173.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD22 HD11 ' A' ' 73' ' ' LEU . 95.4 mt -67.7 -30.19 69.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.85 0.46 . . . . 0.0 111.749 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -73.35 -51.24 18.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.645 0.378 . . . . 0.0 111.034 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.86 -37.14 81.46 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.493 0.317 . . . . 0.0 110.504 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -69.71 -36.39 75.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.095 0.558 . . . . 0.0 110.701 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.49 -39.75 95.27 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.408 0.683 . . . . 0.0 110.324 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.64 -42.13 78.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.003 0.921 . . . . 0.0 110.769 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 24.4 mm-40 -61.94 -46.08 90.88 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 123.196 0.598 . . . . 0.0 109.925 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.92 63.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.364 0.665 . . . . 0.0 111.495 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.96 42.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.005 0.522 . . . . 0.0 111.073 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -77.29 -47.22 20.62 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.384 0.674 . . . . 0.0 111.713 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HD3' ' O ' ' A' ' 31' ' ' GLU . 3.3 mpt_? -77.15 -18.15 58.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.677 1.191 . . . . 0.0 110.461 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.73 43.37 7.79 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.287 0.367 . . . . 0.0 113.233 175.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 132.59 38.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.722 0.809 . . . . 0.0 109.834 172.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -66.42 -20.16 65.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.734 0.814 . . . . 0.0 111.004 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 p -64.16 -8.23 11.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.328 1.051 . . . . 0.0 113.292 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -50.58 -41.2 54.2 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.024 0.529 . . . . 0.0 111.41 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.54 -34.62 70.17 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.43 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 7.9 p -75.42 -32.16 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.718 0.69 . . . . 0.0 110.173 179.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -68.04 -37.18 81.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.979 0.512 . . . . 0.0 109.913 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -52.4 34.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.845 1.258 . . . . 0.0 110.876 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 18.2 ptpt -71.07 -35.26 71.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.734 0.413 . . . . 0.0 110.757 -174.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.64 89.1 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 123.174 0.59 . . . . 0.0 110.016 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.8 tp -59.6 -53.44 58.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.325 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -60.08 -43.47 95.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.896 0.878 . . . . 0.0 111.644 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 66.3 m -62.15 -38.61 89.64 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.806 0.691 . . . . 0.0 110.908 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.419 ' HG ' HD12 ' A' ' 57' ' ' LEU . 4.8 tt -67.15 -42.99 83.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.969 0.908 . . . . 0.0 109.888 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 26.1 mm-40 -60.37 -38.14 82.95 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.193 0.597 . . . . 0.0 111.386 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -92.21 -15.13 27.96 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 49' ' ' SER . 17.3 t80 -72.98 127.53 89.34 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 122.669 0.388 . . . . 0.0 110.056 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.63 31.68 0.48 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 123.168 2.579 . . . . 0.0 114.583 -175.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -144.31 125.15 7.73 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 11.3 Cg_exo -69.67 103.65 1.18 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.762 2.308 . . . . 0.0 111.485 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 63' ' ' ALA . 38.8 mt -72.88 99.43 2.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.351 0.596 . . . . 0.0 109.675 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -118.07 15.02 14.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 110.117 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -162.05 147.66 13.15 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.215 1.006 . . . . 0.0 109.253 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.502 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -67.29 -18.14 69.06 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.361 0.413 . . . . 0.0 112.951 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.31 -45.12 80.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.653 0.74 . . . . 0.0 110.288 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -83.77 -23.03 31.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.106 -174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.59 ' HB1' ' SG ' ' A' ' 74' ' ' CYS . . . -86.37 -33.67 20.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.212 0.605 . . . . 0.0 112.026 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -71.22 -24.05 62.13 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.888 0.475 . . . . 0.0 112.134 -174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 pt -63.86 -17.72 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 122.316 0.246 . . . . 0.0 111.034 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.67 121.4 38.47 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 170.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -82.48 -4.76 58.03 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -68.99 -27.37 65.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -79.35 -72.71 0.38 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 167.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.23 -169.02 49.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.473 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.32 -60.27 3.39 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.992 0.517 . . . . 0.0 111.723 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -57.48 -49.68 75.5 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.028 0.931 . . . . 0.0 111.289 -170.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.427 HD11 HD22 ' A' ' 25' ' ' LEU . 1.7 tm? -63.06 -55.67 23.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.85 -176.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.59 ' SG ' ' HB1' ' A' ' 63' ' ' ALA . 53.9 t -72.79 -29.29 63.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.926 -168.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -68.33 -44.55 75.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.285 0.634 . . . . 0.0 110.424 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtp -67.75 -38.43 83.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.475 0.31 . . . . 0.0 110.519 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -64.7 -35.17 80.17 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.458 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.502 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 33.6 t70 -75.1 -33.96 61.67 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.278 1.031 . . . . 0.0 111.169 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.27 -39.96 86.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.333 0.653 . . . . 0.0 110.617 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.84 -47.12 82.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.332 172.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.04 -37.31 76.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.582 0.753 . . . . 0.0 109.815 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -69.85 -41.51 74.79 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.736 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -31.81 65.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -175.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.479 ' HD1' HD21 ' A' ' 85' ' ' LEU . 51.8 t-80 -60.99 -52.38 65.25 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.79 172.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.479 HD21 ' HD1' ' A' ' 84' ' ' HIS . 56.4 mt -71.82 -35.49 69.95 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.842 -175.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.38 -61.21 1.79 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.828 0.451 . . . . 0.0 110.889 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.7 m -76.95 -32.13 57.09 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.86 0.464 . . . . 0.0 111.632 -175.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.27 0.03 58.48 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-O 119.812 -0.438 . . . . 0.0 113.222 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.0 -68.53 0.56 Allowed Glycine 0 C--N 1.343 0.945 0 CA-C-N 117.156 0.478 . . . . 0.0 111.941 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -177.668 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 CA--C 1.559 1.325 0 CA-C-O 121.793 0.806 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 16.9 m-30 -62.67 -34.64 77.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.033 1.333 . . . . 0.0 111.859 172.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -60.42 -54.61 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.037 0.535 . . . . 0.0 110.332 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -62.89 -35.0 78.6 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.701 0.626 . . . . 0.0 111.19 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -65.44 -46.66 79.05 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.141 0.276 . . . . 0.0 111.357 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 73' ' ' LEU . 93.5 mt -66.02 -30.48 71.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.871 0.468 . . . . 0.0 111.237 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.2 m -71.75 -48.94 43.43 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.393 0.677 . . . . 0.0 110.529 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.9 -35.3 67.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.829 0.452 . . . . 0.0 111.367 -174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -69.25 -43.5 73.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.766 0.426 . . . . 0.0 110.442 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' NH1' ' HB2' ' A' ' 44' ' ' GLN . 43.1 ttt85 -66.11 -36.66 83.76 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.074 0.549 . . . . 0.0 111.139 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.16 -48.72 67.16 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.477 0.711 . . . . 0.0 110.215 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -58.92 -40.96 86.15 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.995 172.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -27.22 67.45 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.583 0.753 . . . . 0.0 112.173 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.18 -31.24 58.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.245 0.618 . . . . 0.0 110.479 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -84.64 -34.86 22.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.637 0.775 . . . . 0.0 111.484 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.421 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . 82.5 mtt180 -92.72 -25.1 18.36 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.202 1.001 . . . . 0.0 111.483 -173.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.36 33.4 17.12 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.994 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 35' ' ' ARG . 19.2 mmm180 -77.92 134.17 37.95 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -74.51 -14.73 60.85 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.457 0.703 . . . . 0.0 111.729 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.0 p -73.86 -8.4 55.92 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.713 0.805 . . . . 0.0 112.021 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 -51.82 -36.4 47.81 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.706 1.203 . . . . 0.0 112.259 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -73.57 -40.49 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.343 1.057 . . . . 0.0 111.469 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.443 HG22 HD23 ' A' ' 73' ' ' LEU . 9.4 p -73.99 -32.6 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.636 0.255 . . . . 0.0 110.403 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -69.72 -30.92 68.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 110.271 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.1 tp60 -68.05 -57.91 5.36 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.88 0.472 . . . . 0.0 111.074 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -62.41 -29.12 70.26 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.847 0.459 . . . . 0.0 111.752 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -49.75 50.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.647 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.76 -42.1 99.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.318 0.647 . . . . 0.0 111.279 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 31.7 mmm180 -67.64 -39.16 84.64 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.511 0.725 . . . . 0.0 110.166 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -59.55 -42.99 93.62 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.661 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.71 -38.77 77.06 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.585 0.754 . . . . 0.0 109.906 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -67.31 -29.69 69.33 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.387 0.675 . . . . 0.0 111.647 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -94.22 -11.48 30.2 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.481 0.313 . . . . 0.0 111.432 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -94.39 119.44 66.44 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.164 0.585 . . . . 0.0 109.647 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.96 21.0 0.99 Allowed 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 123.235 2.624 . . . . 0.0 114.233 -173.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.411 HD12 HD23 ' A' ' 57' ' ' LEU . 2.7 tm? -114.86 123.37 32.09 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.38 100.03 1.19 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.386 2.058 . . . . 0.0 111.561 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD23 HD12 ' A' ' 55' ' ' LEU . 54.8 mt -63.15 111.53 2.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.09 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -96.48 -27.11 15.04 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.428 0.691 . . . . 0.0 109.906 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -126.77 156.9 40.47 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.295 1.038 . . . . 0.0 110.315 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.85 -22.02 73.57 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.299 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.11 -40.38 89.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.054 0.941 . . . . 0.0 110.506 172.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.62 -26.8 58.11 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.018 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -18.42 45.42 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.161 0.585 . . . . 0.0 111.287 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -65.18 -37.03 86.08 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.278 1.031 . . . . 0.0 111.446 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 pt -64.55 -25.97 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.254 0.621 . . . . 0.0 111.202 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt -87.72 103.08 15.27 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.214 1.006 . . . . 0.0 109.361 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.54 -19.6 63.7 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.182 0.993 . . . . 0.0 111.373 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.05 -36.66 82.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.621 0.768 . . . . 0.0 110.391 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -68.24 -66.56 0.55 Allowed 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.548 0.739 . . . . 0.0 109.322 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.44 155.42 31.89 Favored Glycine 0 C--N 1.343 0.962 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -171.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -60.61 -34.46 74.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -62.27 -46.11 90.26 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.152 0.581 . . . . 0.0 109.569 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.532 HD11 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -64.65 -49.91 69.16 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.386 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 35.4 m -58.41 -39.76 80.58 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.195 0.998 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.47 -45.97 81.62 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.769 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.0 mmt -61.32 -48.32 81.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.145 0.578 . . . . 0.0 110.744 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.32 -45.4 80.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.093 0.957 . . . . 0.0 112.305 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.58 -37.83 70.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.522 0.514 . . . . 0.0 110.834 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 23.1 mm-40 -62.74 -43.19 99.45 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.164 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -66.17 -42.65 88.65 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 123.144 0.577 . . . . 0.0 110.641 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.5 tm? -56.33 -42.85 78.33 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.39 -48.47 81.62 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.724 -1.126 . . . . 0.0 111.336 174.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 97.6 mt-30 -65.52 -41.5 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.103 0.561 . . . . 0.0 110.968 -174.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.52 -50.77 70.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.93 0.892 . . . . 0.0 110.564 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 58.5 mt -64.72 -32.28 73.89 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.951 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 C-N-CA 123.66 0.784 . . . . 0.0 112.016 -179.327 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.887 0.375 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -69.37 -36.51 76.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.496 0.718 . . . . 0.0 111.685 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.75 -52.12 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.732 0.413 . . . . 0.0 110.537 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -59.06 -40.01 83.84 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 123.546 0.528 . . . . 0.0 111.059 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -63.66 -49.32 73.65 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.524 0.515 . . . . 0.0 111.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.51 -28.98 69.58 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.717 0.235 . . . . 0.0 111.386 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 m -69.47 -52.48 26.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.508 0.723 . . . . 0.0 110.866 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.79 -41.41 65.02 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -65.87 -34.62 78.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.116 0.566 . . . . 0.0 110.431 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -61.21 -43.59 98.63 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.503 0.721 . . . . 0.0 110.753 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.86 -30.31 61.3 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.223 1.009 . . . . 0.0 111.264 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.37 -36.29 58.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.161 0.984 . . . . 0.0 109.393 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -75.46 -22.09 57.58 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.615 0.766 . . . . 0.0 110.872 175.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.34 64.1 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 170.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t -69.86 -32.79 71.36 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.137 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.588 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -92.97 -5.11 51.43 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 0.0 110.817 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.15 28.89 74.03 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 113.907 0.323 . . . . 0.0 113.907 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.588 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 30.3 mmm180 -78.01 150.67 33.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.173 0.989 . . . . 0.0 111.723 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -71.05 -19.93 62.43 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 p -71.07 -13.1 61.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.141 0.576 . . . . 0.0 112.498 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -54.32 -40.43 67.97 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.033 0.379 . . . . 0.0 110.63 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -63.44 -45.7 89.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.876 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.482 HG13 HD23 ' A' ' 73' ' ' LEU . 9.7 p -73.79 -32.11 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.075 0.15 . . . . 0.0 111.075 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -71.09 -32.46 69.1 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.933 0.493 . . . . 0.0 110.293 173.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.22 -55.0 13.83 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.644 0.778 . . . . 0.0 110.481 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.69 -32.11 71.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.009 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -45.51 80.92 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.194 0.598 . . . . 0.0 110.362 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 62.6 tp -60.34 -53.92 51.81 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.082 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.78 -30.45 69.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 111.127 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t -68.19 -38.1 81.64 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.131 175.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.4 tt -67.77 -39.31 84.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.497 0.719 . . . . 0.0 109.238 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 29.3 mm-40 -61.37 -42.8 99.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.524 0.73 . . . . 0.0 111.349 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -81.95 -22.6 36.6 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.639 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.3 t80 -72.48 128.03 89.19 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.503 0.721 . . . . 0.0 110.526 -171.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -72.41 -15.13 28.06 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.638 2.225 . . . . 0.0 113.292 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 24.0 tp -92.98 132.52 30.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 123.253 0.621 . . . . 0.0 109.345 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.22 99.78 1.2 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.364 2.042 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.442 HD12 ' HG ' ' A' ' 50' ' ' LEU . 92.4 mt -66.6 93.03 0.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.077 -175.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.63 -42.81 40.84 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.826 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.0 m -120.79 155.64 33.58 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.397 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -68.88 -18.56 72.64 Favored Glycine 0 C--N 1.346 1.084 0 O-C-N 123.349 0.406 . . . . 0.0 112.367 172.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.04 -43.8 74.08 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.14 0.976 . . . . 0.0 110.252 165.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -78.62 -29.97 46.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.923 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -80.67 -23.54 39.55 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.337 0.655 . . . . 0.0 112.581 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 38.6 ttpt -70.88 -22.34 62.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.24 0.616 . . . . 0.0 112.022 -173.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -66.57 -20.06 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 122.939 0.495 . . . . 0.0 111.421 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.16 131.52 37.34 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.289 0.635 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -78.83 -20.09 50.49 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.672 0.789 . . . . 0.0 111.332 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.64 -35.28 79.1 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.239 0.542 . . . . 0.0 110.065 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 15.8 m-85 -75.54 -76.53 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.5 174.55 40.17 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.385 -172.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.92 -57.4 12.79 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.928 0.891 . . . . 0.0 112.728 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -71.95 -28.92 63.77 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.593 0.757 . . . . 0.0 112.479 -172.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD23 HG13 ' A' ' 42' ' ' VAL . 2.0 tm? -62.29 -53.39 55.82 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 82.5 m -68.11 -25.19 65.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.484 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.0 mmm180 -60.35 -51.06 71.11 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.654 0.382 . . . . 0.0 110.264 169.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.42 -43.04 86.82 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.506 0.67 . . . . 0.0 109.991 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.68 -50.53 64.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.315 1.446 . . . . 0.0 111.796 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.723 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 26.1 t70 -74.93 -42.5 57.61 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.152 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.1 mm-40 -59.68 -41.0 89.69 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -56.98 -52.06 66.73 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.034 0.534 . . . . 0.0 111.15 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -54.91 -41.34 70.83 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.361 0.665 . . . . 0.0 111.413 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -67.26 -38.65 85.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.619 1.167 . . . . 0.0 110.247 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 48.7 mt-30 -73.85 -34.96 64.73 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.454 0.702 . . . . 0.0 109.76 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -65.19 -42.61 93.42 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.125 0.97 . . . . 0.0 110.452 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -78.35 -44.95 23.78 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.22 0.608 . . . . 0.0 111.446 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.258 0 C-N-CA 123.085 0.554 . . . . 0.0 111.374 -175.346 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 CA--C 1.555 1.168 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.472 0.578 . . . . 0.0 111.348 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.1 -49.88 80.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.1 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -73.94 -32.51 63.53 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.865 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 25.0 m0 -67.58 -43.8 79.68 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.684 0.615 . . . . 0.0 110.463 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.18 -30.56 71.48 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.421 0.288 . . . . 0.0 111.454 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.9 m -75.45 -47.32 27.77 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.77 0.428 . . . . 0.0 111.278 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.5 pt-20 -73.67 -31.31 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.042 0.537 . . . . 0.0 111.144 -174.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -79.22 -29.79 42.93 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.813 0.445 . . . . 0.0 110.525 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.86 -40.99 90.47 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.024 0.53 . . . . 0.0 109.806 166.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.51 -40.01 81.01 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.064 0.945 . . . . 0.0 110.398 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mm-40 -60.94 -37.81 83.63 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.263 1.025 . . . . 0.0 110.984 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -71.13 -36.63 72.17 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.444 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.35 61.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.366 0.667 . . . . 0.0 111.393 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -84.54 -42.8 15.13 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.889 0.876 . . . . 0.0 110.817 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -105.1 7.49 33.86 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.477 0.711 . . . . 0.0 112.463 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.53 30.13 75.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 123.539 0.524 . . . . 0.0 113.222 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.576 ' NH1' ' HB3' ' A' ' 31' ' ' GLU . 58.7 mtt180 -72.92 134.84 44.94 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.335 0.654 . . . . 0.0 110.324 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -64.19 -20.38 65.98 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.952 0.901 . . . . 0.0 111.273 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.9 p -64.17 -5.02 4.15 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.722 1.209 . . . . 0.0 113.444 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -49.93 -45.13 50.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.948 0.899 . . . . 0.0 111.391 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -72.11 -39.43 68.89 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.656 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.39 -31.47 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 117.597 0.181 . . . . 0.0 110.741 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.26 -31.2 62.46 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.541 0.336 . . . . 0.0 110.379 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -69.87 -49.79 48.81 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.477 0.485 . . . . 0.0 110.67 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.07 -30.47 68.8 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.228 0.33 . . . . 0.0 110.839 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.35 -45.21 60.87 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.254 0.621 . . . . 0.0 110.457 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 tp -63.78 -56.96 11.6 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.137 0.575 . . . . 0.0 110.175 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.54 -38.14 77.16 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.168 0.987 . . . . 0.0 111.224 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.1 t -59.04 -49.14 79.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.83 -35.64 80.59 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.349 1.059 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 11.7 mm100 -67.77 -34.69 77.31 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.241 0.616 . . . . 0.0 111.932 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -94.21 -14.44 25.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.365 0.266 . . . . 0.0 111.299 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.6 t80 -77.31 119.72 78.6 Favored Pre-proline 0 N--CA 1.476 0.843 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -173.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.36 -2.3 12.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 122.941 2.428 . . . . 0.0 113.384 -172.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.17 142.81 33.9 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.37 -37.3 24.07 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 123.008 2.472 . . . . 0.0 113.052 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.1 mt 54.97 70.4 0.63 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.652 1.181 . . . . 0.0 110.597 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -84.94 -33.39 22.68 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.174 0.511 . . . . 0.0 110.772 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -103.41 152.24 21.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.62 -23.11 72.07 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -63.07 -37.82 88.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.523 1.129 . . . . 0.0 110.434 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' ILE . 49.5 mt-10 -72.75 -39.07 67.13 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.135 0.574 . . . . 0.0 110.673 175.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.74 -14.99 63.38 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.486 0.714 . . . . 0.0 111.702 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -69.33 -29.94 67.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.185 0.994 . . . . 0.0 112.059 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.0 pt -70.17 -8.53 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.72 114.36 28.54 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 123.184 0.594 . . . . 0.0 109.831 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -72.44 -17.5 61.78 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.822 0.849 . . . . 0.0 110.727 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -59.36 -33.05 70.69 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.478 0.711 . . . . 0.0 111.463 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.43 -70.8 0.3 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 172.02 18.29 Favored Glycine 0 N--CA 1.467 0.711 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.202 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.57 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 21.0 t70 -62.23 -60.76 3.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.921 0.488 . . . . 0.0 111.823 -175.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 76' ' ' MET . 96.4 mtt180 -65.39 -33.27 75.56 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.835 0.854 . . . . 0.0 111.228 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.403 HD13 HD13 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -63.13 -49.91 72.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.142 0.977 . . . . 0.0 109.607 179.468 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 76.2 m -61.39 -32.19 72.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -68.62 -40.81 80.18 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.757 0.661 . . . . 0.0 110.762 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 87.8 mtp -58.96 -48.21 82.33 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.702 0.401 . . . . 0.0 110.393 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 HD13 ' A' ' 73' ' ' LEU . 10.1 mp -68.36 -38.33 81.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.591 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.04 -49.89 58.64 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.224 0.61 . . . . 0.0 111.143 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.59 -50.83 69.72 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 124.086 0.867 . . . . 0.0 110.252 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -55.82 -45.54 78.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.182 0.593 . . . . 0.0 111.392 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.9 tm? -56.84 -49.0 76.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.549 0.74 . . . . 0.0 109.741 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.21 -41.28 92.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.43 1.092 . . . . 0.0 111.543 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -75.89 -29.18 58.37 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.648 0.779 . . . . 0.0 110.217 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.42 -33.96 67.5 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.996 0.918 . . . . 0.0 110.352 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 86.6 mt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.059 0.544 . . . . 0.0 110.085 176.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 123.348 0.659 . . . . 0.0 111.357 -176.372 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.66 -24.3 58.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 m -68.2 -42.3 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.777 0.717 . . . . 0.0 110.071 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -75.67 -34.6 60.47 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.045 0.538 . . . . 0.0 110.398 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -71.45 -42.88 67.63 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.683 0.614 . . . . 0.0 111.497 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD21 HD11 ' A' ' 77' ' ' LEU . 79.4 mt -68.27 -34.79 76.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 117.862 0.301 . . . . 0.0 110.809 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.5 m -63.07 -49.66 73.64 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.444 0.465 . . . . 0.0 111.196 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 13.0 pt-20 -69.34 -47.45 64.33 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.839 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -62.59 -36.74 83.68 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.963 0.505 . . . . 0.0 111.004 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -56.14 -56.21 23.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.889 0.743 . . . . 0.0 110.617 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -74.95 -28.69 60.69 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.468 -171.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 35.4 mm-40 -68.88 -49.71 55.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.339 0.656 . . . . 0.0 109.316 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.585 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -66.3 -28.75 68.93 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.398 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.72 72.79 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.582 0.753 . . . . 0.0 110.282 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -76.22 -18.51 59.01 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.269 0.628 . . . . 0.0 110.808 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -86.6 -24.66 25.3 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.429 0.692 . . . . 0.0 110.601 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.77 65.15 1.63 Allowed Glycine 0 C--N 1.353 1.475 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.585 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 15.7 mtp180 -130.94 139.79 50.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.034 0.934 . . . . 0.0 110.205 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -71.46 -20.03 62.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.074 0.549 . . . . 0.0 111.447 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 42' ' ' VAL . 17.4 p -68.0 -17.17 64.34 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.11 0.564 . . . . 0.0 112.401 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -61.47 -29.65 70.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.134 0.425 . . . . 0.0 109.99 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -72.68 -41.55 65.23 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.313 1.008 . . . . 0.0 110.923 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 39' ' ' THR . 5.8 p -71.63 -35.09 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 117.884 0.311 . . . . 0.0 110.475 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -73.07 -30.52 63.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.276 0.63 . . . . 0.0 110.243 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 43.6 tt0 -71.52 -53.13 14.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.696 0.798 . . . . 0.0 111.304 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.68 -36.95 85.12 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.503 0.502 . . . . 0.0 110.975 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.15 96.25 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.824 0.703 . . . . 0.0 109.745 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.474 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 65.6 tp -59.31 -50.47 73.88 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.805 . . . . 0.0 111.001 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 40.3 mmm-85 -65.12 -37.09 86.35 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.82 0.448 . . . . 0.0 110.687 -175.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 13.2 t -67.36 -34.88 78.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.162 177.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.14 -38.19 66.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.204 1.002 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 9.7 mm100 -75.9 -27.08 57.53 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.103 0.561 . . . . 0.0 111.634 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -86.8 -20.44 27.57 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.3 t80 -76.83 120.43 81.66 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.19 30.14 0.47 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 123.229 2.619 . . . . 0.0 113.305 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -130.01 113.94 17.47 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.4 97.17 0.25 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.117 2.544 . . . . 0.0 112.222 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD23 HD12 ' A' ' 55' ' ' LEU . 68.5 mt -74.91 100.91 4.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.738 0.815 . . . . 0.0 109.569 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -82.74 -22.33 34.44 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.001 0.92 . . . . 0.0 110.681 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.501 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.5 t -112.34 132.74 54.83 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.805 0.842 . . . . 0.0 109.35 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.62 -21.68 74.81 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.535 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.39 -39.93 81.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.611 1.165 . . . . 0.0 110.38 171.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 24.1 mm-40 -74.68 -19.88 60.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.489 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -80.57 -21.53 41.59 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.601 0.76 . . . . 0.0 111.455 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 38.2 ttpt -69.37 -24.12 63.84 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.618 0.767 . . . . 0.0 112.102 -175.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.1 pt -64.85 -21.3 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.347 . . . . 0.0 111.435 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mp -93.39 119.36 32.41 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.81 -15.15 63.39 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.76 0.824 . . . . 0.0 111.716 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -67.19 -23.66 65.78 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.713 0.805 . . . . 0.0 111.508 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -87.09 -74.09 0.45 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 167.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.55 178.06 35.43 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.328 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.61 -50.26 59.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.63 0.772 . . . . 0.0 112.424 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -63.93 -43.74 94.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.607 0.763 . . . . 0.0 110.897 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 77' ' ' LEU . 1.4 tm? -61.24 -49.05 78.68 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.155 0.909 . . . . 0.0 109.027 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 9.3 t -54.89 -41.85 71.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.425 1.09 . . . . 0.0 111.699 178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -71.06 -35.1 71.79 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.828 0.705 . . . . 0.0 111.045 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.7 mmm -60.74 -47.75 84.91 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.485 0.314 . . . . 0.0 110.298 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 73' ' ' LEU . 8.0 mp -66.1 -34.45 78.08 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.973 0.909 . . . . 0.0 111.266 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.48 -48.38 70.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.872 0.869 . . . . 0.0 110.388 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.7 mm-40 -59.38 -49.52 77.48 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.236 1.014 . . . . 0.0 110.703 177.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -61.71 -45.07 95.53 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.739 0.816 . . . . 0.0 112.072 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.73 -41.3 95.04 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -68.09 -34.1 75.77 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.031 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 55.9 mt-30 -70.13 -39.71 75.26 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -62.82 -45.91 90.43 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.178 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -77.65 -56.95 4.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.204 0.202 . . . . 0.0 111.506 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 123.089 0.556 . . . . 0.0 112.06 -175.454 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 121.028 0.442 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.497 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 36.7 m-85 -63.02 -31.81 73.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.723 1.209 . . . . 0.0 110.394 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.2 t -66.68 -51.92 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.361 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -64.49 -34.18 77.62 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.527 -0.273 . . . . 0.0 111.19 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.78 -46.54 71.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.949 0.5 . . . . 0.0 110.679 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 73' ' ' LEU . 80.8 mt -69.45 -30.98 69.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -71.54 -46.48 59.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.792 0.437 . . . . 0.0 110.403 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.74 -36.58 67.76 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.671 0.388 . . . . 0.0 111.292 -174.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -65.17 -45.82 83.37 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.658 0.383 . . . . 0.0 110.119 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -59.05 -39.51 82.24 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.104 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.65 -42.54 61.24 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.571 0.748 . . . . 0.0 111.273 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.5 -43.51 89.9 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.014 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.83 -31.31 72.2 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.095 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.526 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -67.77 -39.51 84.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.28 0.632 . . . . 0.0 110.701 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -82.53 -24.3 34.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.151 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -99.64 -11.62 20.77 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.182 0.593 . . . . 0.0 111.473 -174.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.88 16.04 60.3 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -83.77 126.1 32.58 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.613 1.165 . . . . 0.0 109.947 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -62.03 -20.23 63.72 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.806 1.243 . . . . 0.0 113.619 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -66.7 -15.51 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.526 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 27.9 ptt180 -54.86 -31.6 59.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.117 0.567 . . . . 0.0 111.761 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -70.2 -43.46 70.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.487 0.715 . . . . 0.0 111.145 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.13 -36.72 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.46 -29.77 68.48 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.392 0.677 . . . . 0.0 110.623 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.39 -53.9 12.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.417 0.687 . . . . 0.0 110.874 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -67.17 -29.32 68.98 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.429 0.456 . . . . 0.0 110.959 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.31 75.0 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.708 0.803 . . . . 0.0 110.313 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.95 -41.96 99.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.073 0.949 . . . . 0.0 111.015 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -65.13 -47.35 77.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.669 0.788 . . . . 0.0 110.033 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 77.4 p -67.44 -30.77 70.59 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.215 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.78 -48.37 63.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.44 0.696 . . . . 0.0 109.671 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.6 -43.08 97.84 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.77 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.58 -24.04 49.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.1 t80 -71.81 122.48 87.37 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 122.867 0.467 . . . . 0.0 110.358 -174.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' TYR . 53.2 Cg_endo -91.15 19.15 1.15 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.568 2.845 . . . . 0.0 113.675 -170.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -100.14 154.32 37.28 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 123.23 0.612 . . . . 0.0 109.789 172.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -49.74 -50.58 12.8 Favored 'Trans proline' 0 C--N 1.389 2.685 0 C-N-CA 123.863 3.042 . . . . 0.0 114.44 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt 59.5 27.85 17.1 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.025 0.93 . . . . 0.0 111.472 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -77.75 -2.54 36.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.934 0.894 . . . . 0.0 111.85 -174.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -124.36 146.04 49.08 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.162 0.985 . . . . 0.0 108.555 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -69.44 -18.45 73.55 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 112.323 -0.311 . . . . 0.0 112.323 175.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -63.98 -33.09 74.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 111.177 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 65' ' ' ILE . 44.7 mt-10 -72.9 -17.82 61.47 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.311 0.645 . . . . 0.0 111.537 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.27 -17.36 60.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.454 0.702 . . . . 0.0 111.415 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 58.2 tptt -62.48 -41.56 98.87 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.469 1.108 . . . . 0.0 112.249 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 62' ' ' GLU . 32.5 pt -63.74 -23.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.856 0.462 . . . . 0.0 111.69 -174.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.32 110.32 21.61 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -69.39 -17.08 63.63 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.525 0.73 . . . . 0.0 111.104 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -55.72 -30.46 61.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.214 1.006 . . . . 0.0 111.357 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -79.38 -57.86 3.49 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 172.686 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.46 172.52 38.21 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.027 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.77 -52.1 66.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.483 0.713 . . . . 0.0 112.05 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.72 -46.73 81.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.303 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 25' ' ' LEU . 6.6 tt -68.64 -42.27 78.22 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 37.5 t -58.44 -35.29 71.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.825 0.45 . . . . 0.0 110.342 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -70.23 -41.68 73.27 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.762 0.664 . . . . 0.0 110.631 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.412 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 83.7 mmm -60.34 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.754 0.788 . . . . 0.0 109.554 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' HD2' ' A' ' 21' ' ' PHE . 10.5 tp -73.76 -32.97 64.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 113.793 -1.549 . . . . 0.0 110.757 -173.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.535 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 37.1 t70 -70.07 -39.4 75.64 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.57 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.0 mt-10 -65.59 -44.68 85.88 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.583 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 76' ' ' MET . 31.3 mmmt -61.85 -46.71 88.26 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.432 0.457 . . . . 0.0 111.042 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.29 -41.95 90.16 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.16 -36.6 84.58 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.299 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.6 mt-30 -70.24 -35.83 74.1 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.721 0.408 . . . . 0.0 110.138 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.59 -36.48 82.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.727 0.411 . . . . 0.0 111.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.47 -33.77 60.85 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.73 0.412 . . . . 0.0 110.462 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 124.16 0.984 . . . . 0.0 110.691 -178.62 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -52.67 -36.18 56.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.207 1.003 . . . . 0.0 112.444 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.21 -43.88 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 O-C-N 123.517 0.511 . . . . 0.0 111.441 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.17 -30.47 62.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.59 -47.18 70.46 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.17 0.988 . . . . 0.0 110.891 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 59.0 mt -65.24 -30.28 71.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.8 0.44 . . . . 0.0 111.246 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 m -71.95 -52.76 15.6 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.413 0.446 . . . . 0.0 110.699 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.29 -44.87 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.673 0.608 . . . . 0.0 110.782 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.464 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 36.0 m0 -73.91 -29.14 61.89 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.364 0.666 . . . . 0.0 111.776 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -58.45 -50.15 74.74 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -73.24 -32.73 64.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.458 0.703 . . . . 0.0 110.863 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -66.56 -37.99 86.13 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.37 0.668 . . . . 0.0 110.155 173.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -68.62 -34.41 75.71 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.68 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 40' ' ' ARG . . . -63.88 -52.21 61.01 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.666 0.604 . . . . 0.0 111.575 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -81.19 -44.75 17.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.55 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.93 67.51 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.716 0.407 . . . . 0.0 110.637 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.26 13.1 34.22 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 113.881 0.312 . . . . 0.0 113.881 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 30.4 mmt180 -67.87 132.39 47.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.944 0.498 . . . . 0.0 109.955 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -74.12 -4.26 34.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.778 0.831 . . . . 0.0 111.521 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -74.72 -0.6 18.62 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.187 0.995 . . . . 0.0 112.247 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.529 ' HD3' ' HB2' ' A' ' 33' ' ' ALA . 19.1 tpt180 -51.13 -41.91 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.994 0.918 . . . . 0.0 110.64 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -74.23 -42.26 60.01 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.486 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -75.1 -35.53 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 O-C-N 123.127 0.267 . . . . 0.0 110.743 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.39 -33.61 74.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.956 0.503 . . . . 0.0 110.358 174.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -66.19 -51.03 61.68 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.349 0.66 . . . . 0.0 111.1 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -74.44 -30.59 61.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.051 0.54 . . . . 0.0 111.546 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.07 68.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.207 0.603 . . . . 0.0 110.012 175.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 60.7 tp -60.95 -45.78 93.35 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.773 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -62.03 -42.12 98.83 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.728 0.643 . . . . 0.0 110.364 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 21.9 t -62.44 -39.65 94.03 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.507 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 tp -73.56 -36.84 65.68 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.803 0.841 . . . . 0.0 111.627 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -66.98 -35.43 79.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.448 0.699 . . . . 0.0 111.347 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.5 -22.73 24.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.357 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.2 t80 -74.89 116.44 53.94 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 122.619 0.368 . . . . 0.0 110.073 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -33.07 85.04 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 123.409 2.739 . . . . 0.0 113.949 -172.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.9 125.08 88.64 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 122.655 0.382 . . . . 0.0 110.339 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -72.86 90.7 0.83 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.926 2.418 . . . . 0.0 110.693 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' ' 63' ' ' ALA . 47.3 mt -70.4 95.52 1.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.926 0.891 . . . . 0.0 110.036 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -101.43 32.66 3.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.033 0.933 . . . . 0.0 110.673 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.507 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.1 t -158.67 146.49 18.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.215 1.406 . . . . 0.0 107.776 168.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -73.94 -22.97 77.38 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.42 -43.64 75.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.387 1.075 . . . . 0.0 110.352 165.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 43.3 mt-10 -72.98 -39.09 66.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.824 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.615 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -69.41 -17.08 63.62 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.366 0.666 . . . . 0.0 112.109 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.55 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 36.3 ttpt -76.12 -14.54 60.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.529 0.732 . . . . 0.0 112.252 -176.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.8 pt -67.56 -25.83 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-O 120.692 0.282 . . . . 0.0 110.688 176.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.8 114.81 24.77 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 109.015 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -73.45 -8.46 55.98 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.276 0.63 . . . . 0.0 112.594 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -64.35 -29.04 70.12 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.086 0.554 . . . . 0.0 111.082 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.26 -80.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.179 0.991 . . . . 0.0 109.425 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.89 13.63 Favored Glycine 0 C--N 1.343 0.933 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.0 -54.01 47.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.927 0.891 . . . . 0.0 111.227 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.23 -34.02 72.35 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.441 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 77' ' ' LEU . 1.3 tm? -62.37 -53.08 60.19 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 0.0 109.248 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 86.4 m -68.38 -26.75 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.825 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -64.17 -51.29 64.51 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.772 0.429 . . . . 0.0 110.217 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.3 mtp -61.03 -50.57 72.82 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.843 0.715 . . . . 0.0 110.349 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 73' ' ' LEU . 9.3 mp -55.83 -50.47 70.44 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.658 0.783 . . . . 0.0 112.695 176.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.465 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 24.8 t70 -65.36 -40.66 93.84 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.893 0.477 . . . . 0.0 110.508 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 40.1 mm-40 -59.06 -47.26 85.89 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 124.101 0.875 . . . . 0.0 110.704 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 29.1 mmmt -56.04 -48.14 76.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.254 0.622 . . . . 0.0 111.507 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.81 -47.28 87.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.613 0.571 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -62.06 -28.56 69.69 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.184 . . . . 0.0 111.559 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt-30 -75.62 -37.55 59.67 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.306 0.643 . . . . 0.0 109.671 175.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.616 0.766 . . . . 0.0 110.524 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.59 -29.29 27.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.73 0.812 . . . . 0.0 111.107 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.235 0 C-N-CA 122.914 0.486 . . . . 0.0 110.657 178.822 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.415 ' HD2' HD23 ' A' ' 77' ' ' LEU . 82.7 m-85 -66.78 -33.76 76.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.934 0.397 . . . . 0.0 111.407 -175.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.39 -55.72 17.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.093 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -65.52 -34.73 78.94 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.022 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m0 -68.76 -39.23 80.38 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 73' ' ' LEU . 64.9 mt -68.63 -30.96 69.79 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 174.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 m -71.4 -51.14 25.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.849 0.459 . . . . 0.0 110.796 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.24 -32.46 64.74 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.79 0.836 . . . . 0.0 111.312 -173.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 46.3 m0 -75.99 -30.49 58.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.685 0.394 . . . . 0.0 110.424 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -66.2 -37.29 85.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.237 0.615 . . . . 0.0 109.669 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.06 -41.59 77.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.289 1.035 . . . . 0.0 110.24 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.22 -32.9 72.47 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.975 0.91 . . . . 0.0 110.917 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.69 -22.15 43.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.93 0.492 . . . . 0.0 110.822 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.5 57.65 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.234 0.613 . . . . 0.0 110.148 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -80.18 -58.34 3.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 111.614 -171.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -33.48 73.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.991 0.917 . . . . 0.0 110.59 177.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.92 34.22 6.3 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.723 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -85.82 127.56 34.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -70.82 -10.28 59.23 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.796 . . . . 0.0 111.825 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 p -73.39 -3.42 27.19 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.987 0.915 . . . . 0.0 112.641 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -54.77 -35.23 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.405 0.682 . . . . 0.0 111.558 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.39 -50.11 74.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.01 -37.02 59.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 122.355 0.262 . . . . 0.0 110.594 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.15 -35.02 78.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.27 0.628 . . . . 0.0 111.131 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.82 -55.26 7.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.47 0.708 . . . . 0.0 110.508 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.64 -30.0 70.65 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.471 0.482 . . . . 0.0 111.393 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.43 60.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.472 0.709 . . . . 0.0 110.55 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 51.8 tp -57.72 -52.67 64.51 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.635 0.774 . . . . 0.0 110.712 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 9.9 mmm180 -63.58 -37.25 86.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.117 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -64.41 -40.87 96.61 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.238 0.615 . . . . 0.0 110.293 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.636 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.8 tt -67.03 -36.93 83.18 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.8 0.84 . . . . 0.0 109.798 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 14.0 mm100 -65.9 -34.42 78.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.562 0.745 . . . . 0.0 111.597 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 22.1 ptt85 -100.6 -3.07 31.22 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.971 0.508 . . . . 0.0 112.35 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 55' ' ' LEU . 42.5 t80 -86.01 119.04 71.49 Favored Pre-proline 0 N--CA 1.48 1.068 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.7 -24.67 47.4 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.264 2.642 . . . . 0.0 114.356 -170.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 6.6 mp -82.88 131.43 54.3 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -70.65 110.67 2.79 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.809 2.339 . . . . 0.0 109.537 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.636 HD12 ' HG ' ' A' ' 50' ' ' LEU . 93.4 mt -81.79 61.85 5.34 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.866 0.866 . . . . 0.0 111.508 -174.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -93.17 83.41 4.65 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.786 0.835 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 t -173.08 -52.74 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.864 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.35 -44.52 1.53 Allowed Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.205 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.59 -47.17 86.63 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.026 0.931 . . . . 0.0 110.631 171.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.84 -16.16 64.1 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.531 0.733 . . . . 0.0 112.461 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.76 -22.67 58.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.2 0.6 . . . . 0.0 111.601 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.739 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.0 ttpt -71.5 -28.21 63.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.821 . . . . 0.0 112.701 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.6 pt -64.73 -24.43 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 122.575 0.35 . . . . 0.0 111.339 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -89.21 116.6 27.57 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.66 -21.84 66.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.156 0.582 . . . . 0.0 112.055 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -55.01 -35.16 64.11 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.458 0.703 . . . . 0.0 111.519 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -79.11 -58.79 3.06 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.271 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 149.66 5.89 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.109 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.49 -33.14 20.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.26 1.024 . . . . 0.0 113.172 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -59.2 -56.88 16.5 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.575 0.75 . . . . 0.0 110.399 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.7 tt -71.8 -36.97 70.45 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.566 -174.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.739 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.2 m -63.52 -36.73 84.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.267 0.627 . . . . 0.0 111.049 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.91 -39.75 83.53 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.728 0.642 . . . . 0.0 110.602 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.69 -50.66 73.05 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 123.276 0.36 . . . . 0.0 111.056 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.415 HD23 ' HD2' ' A' ' 21' ' ' PHE . 10.5 mp -69.69 -34.54 74.08 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.516 0.726 . . . . 0.0 111.876 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.48 -43.6 80.57 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.4 0.68 . . . . 0.0 110.294 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 39.9 mt-10 -67.04 -41.84 85.87 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.047 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 30.7 mmmt -63.74 -41.27 98.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.291 0.236 . . . . 0.0 110.776 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.01 -39.28 94.28 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.77 -41.77 98.13 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.248 1.019 . . . . 0.0 110.711 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 96.2 mt-30 -75.11 -33.58 61.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.499 0.719 . . . . 0.0 110.25 -177.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -61.84 -44.08 97.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.46 1.104 . . . . 0.0 110.202 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.9 mt -80.86 -31.38 35.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.783 0.433 . . . . 0.0 111.204 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 C-N-CA 123.227 0.611 . . . . 0.0 110.899 179.837 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.465 0.174 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -60.39 -29.42 68.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.57 1.148 . . . . 0.0 112.382 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.16 -54.12 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -69.01 -30.65 69.09 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.094 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -70.17 -51.01 34.48 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 122.846 0.459 . . . . 0.0 110.817 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.646 HD21 HD11 ' A' ' 73' ' ' LEU . 79.7 mt -64.33 -27.44 69.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.407 . . . . 0.0 111.916 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.6 m -70.27 -49.42 50.01 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.825 0.45 . . . . 0.0 110.949 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.91 -33.74 68.53 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.825 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.403 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 48.8 m0 -70.6 -39.24 73.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.911 0.485 . . . . 0.0 110.158 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -60.94 -43.9 98.0 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.789 0.836 . . . . 0.0 110.575 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.71 -48.79 68.13 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.868 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.95 -32.16 72.4 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.121 0.968 . . . . 0.0 110.99 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.19 71.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.626 0.37 . . . . 0.0 110.571 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.23 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.05 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -80.07 -35.78 36.55 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.359 0.663 . . . . 0.0 111.779 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.58 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 3.9 tpt180 -92.09 -7.73 47.81 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.533 0.733 . . . . 0.0 110.749 -173.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.06 10.56 85.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 116.251 -0.432 . . . . 0.0 113.718 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.58 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 38.2 mmt180 -69.11 122.15 18.17 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -71.98 -3.49 23.03 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.369 0.668 . . . . 0.0 111.815 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 p -67.22 -8.34 30.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.664 0.785 . . . . 0.0 112.114 170.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -51.54 -39.07 57.05 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.087 0.555 . . . . 0.0 110.578 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -61.79 -50.13 73.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.326 1.016 . . . . 0.0 111.434 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.91 -34.41 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 122.147 0.179 . . . . 0.0 111.046 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -74.27 -33.37 63.24 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.034 0.533 . . . . 0.0 111.067 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.66 -46.04 48.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -72.27 -32.51 66.71 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 123.398 0.436 . . . . 0.0 110.744 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.32 -41.56 73.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.467 0.479 . . . . 0.0 110.449 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 62.7 tp -65.41 -44.69 86.66 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.914 0.486 . . . . 0.0 110.9 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -65.55 -37.82 87.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.889 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 70.0 m -63.28 -44.75 94.19 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.839 0.712 . . . . 0.0 110.544 173.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.52 -40.27 86.61 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.227 1.011 . . . . 0.0 111.597 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.66 -41.81 36.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.42 0.688 . . . . 0.0 111.793 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.25 -28.96 57.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.476 0.31 . . . . 0.0 111.588 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.4 t80 -76.47 119.77 78.8 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -176.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.31 -15.64 38.91 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.406 2.071 . . . . 0.0 112.745 -173.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 47.3 tp -76.06 120.75 83.03 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 109.58 176.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 55' ' ' LEU . 7.9 Cg_exo -72.64 98.92 1.0 Allowed 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 123.01 2.473 . . . . 0.0 110.743 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.26 81.47 6.51 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -89.65 -8.73 51.83 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.378 1.071 . . . . 0.0 110.463 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -121.0 134.38 55.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.503 1.121 . . . . 0.0 109.458 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.48 -22.29 69.43 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.224 -0.444 . . . . 0.0 113.132 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -65.88 -39.33 90.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 0.0 110.648 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' O ' HG12 ' A' ' 65' ' ' ILE . 28.9 mm-40 -72.85 -23.32 60.74 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.583 0.753 . . . . 0.0 111.034 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.61 -21.98 61.03 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.332 0.653 . . . . 0.0 111.741 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 48.8 tptt -64.98 -28.95 69.86 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.897 0.879 . . . . 0.0 112.186 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.5 pt -66.58 -17.03 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 117.747 0.249 . . . . 0.0 111.078 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -100.37 121.65 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -83.43 -7.73 59.51 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.508 0.723 . . . . 0.0 111.336 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -66.33 -31.88 72.95 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 73' ' ' LEU . 30.9 m-85 -75.21 -72.03 0.33 Allowed 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 166.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.45 173.89 50.01 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.69 -0.506 . . . . 0.0 112.7 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.46 -50.34 65.51 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.596 0.758 . . . . 0.0 112.824 -175.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -62.85 -46.36 88.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.837 0.711 . . . . 0.0 110.899 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.646 HD11 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -65.98 -54.21 29.06 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.7 m -62.16 -34.01 75.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.017 0.927 . . . . 0.0 112.293 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.3 tpt85 -72.79 -44.05 62.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 61.0 mtm -70.38 -34.88 73.1 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.401 0.438 . . . . 0.0 110.047 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 tp -62.34 -43.92 97.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 109.537 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.71 -40.9 92.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.793 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 22.9 mm-40 -67.35 -35.92 80.35 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.464 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 76' ' ' MET . 30.3 mmmt -67.63 -44.07 78.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.939 0.496 . . . . 0.0 110.142 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.4 tm? -62.02 -35.82 79.7 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.218 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.14 -39.83 93.58 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.318 1.047 . . . . 0.0 110.491 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 52.0 mt-30 -67.9 -36.3 79.97 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.718 0.407 . . . . 0.0 110.381 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.79 -48.07 78.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.199 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 77.6 mt -66.65 -44.89 80.67 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.426 0.454 . . . . 0.0 110.926 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.867 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.55 -173.667 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.544 0.718 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -65.02 -40.0 94.22 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.36 -47.39 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 117.9 0.318 . . . . 0.0 111.094 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -66.56 -34.23 77.43 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.281 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.443 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.7 m0 -67.73 -43.45 79.94 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 123.788 0.68 . . . . 0.0 111.103 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -32.19 73.58 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.504 0.321 . . . . 0.0 110.716 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.405 HG23 HH21 ' A' ' 29' ' ' ARG . 29.3 m -73.35 -51.68 16.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.814 0.446 . . . . 0.0 111.167 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.7 pt-20 -72.67 -33.94 66.88 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.94 0.496 . . . . 0.0 111.473 -172.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -75.75 -31.07 59.41 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.066 0.546 . . . . 0.0 109.98 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.405 HH21 HG23 ' A' ' 26' ' ' THR . 64.4 ttp85 -68.0 -35.01 77.6 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.26 0.624 . . . . 0.0 110.647 171.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.27 -37.79 78.07 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.819 0.847 . . . . 0.0 109.981 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.64 -35.78 77.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.166 0.586 . . . . 0.0 109.963 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.45 -20.62 60.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 111.31 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.626 ' HA ' HH11 ' A' ' 40' ' ' ARG . . . -79.57 -50.19 11.07 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.178 0.591 . . . . 0.0 110.305 174.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -68.97 -48.15 63.86 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.054 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -72.19 -27.99 62.91 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.005 0.522 . . . . 0.0 111.239 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.88 37.8 12.58 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.721 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -76.02 142.59 41.8 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.717 0.807 . . . . 0.0 109.919 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -74.33 -11.96 60.4 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.173 0.589 . . . . 0.0 110.687 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -73.82 -7.57 52.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 112.641 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.626 HH11 ' HA ' ' A' ' 33' ' ' ALA . 42.2 ttp180 -55.54 -35.8 66.07 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.35 0.595 . . . . 0.0 110.874 174.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -71.07 -43.41 67.81 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.393 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.65 -32.61 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 122.502 0.321 . . . . 0.0 111.021 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -69.11 -33.97 74.33 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.06 0.544 . . . . 0.0 109.907 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.69 -50.64 56.57 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.486 0.714 . . . . 0.0 110.784 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -70.26 -31.3 68.62 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.003 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.74 69.04 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.962 0.505 . . . . 0.0 110.385 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.51 -50.67 57.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.017 0.527 . . . . 0.0 110.667 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -63.23 -43.13 98.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.361 0.664 . . . . 0.0 111.373 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 72.0 p -60.43 -40.73 92.13 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.516 0.51 . . . . 0.0 110.57 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.74 -34.57 77.1 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.812 0.845 . . . . 0.0 110.021 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.71 -35.95 79.74 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.511 0.724 . . . . 0.0 111.497 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -94.72 -6.96 41.96 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.141 0.275 . . . . 0.0 111.304 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.3 t80 -93.02 105.24 14.3 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.56 -0.88 9.45 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.991 2.46 . . . . 0.0 113.578 -170.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.07 125.44 77.22 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 109.946 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.94 97.07 0.96 Allowed 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 123.383 2.722 . . . . 0.0 110.534 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 mt -74.01 96.34 2.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 110.273 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -98.35 -21.15 16.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.869 0.868 . . . . 0.0 110.753 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.459 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.6 t -119.93 144.19 47.58 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.962 0.905 . . . . 0.0 109.604 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.47 62.7 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 123.24 0.338 . . . . 0.0 112.769 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -63.44 -41.36 98.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.605 1.162 . . . . 0.0 110.65 172.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 32.2 mt-10 -72.67 -27.91 62.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.508 0.723 . . . . 0.0 111.106 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.91 -29.83 55.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.392 0.677 . . . . 0.0 110.971 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 21.8 tptm -60.94 -33.32 73.0 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.682 1.193 . . . . 0.0 112.517 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.8 pt -70.2 -9.77 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.13 124.7 49.56 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.43 0.692 . . . . 0.0 109.273 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.51 -11.77 59.89 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.002 0.921 . . . . 0.0 112.19 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -64.24 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.826 0.451 . . . . 0.0 110.007 171.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 4.7 m-85 -83.41 -76.55 0.28 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.577 172.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.6 174.84 50.54 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-O 119.699 -0.501 . . . . 0.0 112.682 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.96 -45.49 67.76 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.565 0.746 . . . . 0.0 112.358 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -62.41 -52.99 61.39 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.936 0.894 . . . . 0.0 111.907 -174.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 77' ' ' LEU . 1.9 tm? -68.56 -45.9 70.9 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.052 0.941 . . . . 0.0 109.662 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 65.6 m -64.87 -30.64 71.65 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.776 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.66 -42.37 82.28 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.709 0.631 . . . . 0.0 110.022 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -59.66 -46.07 90.14 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.988 0.515 . . . . 0.0 110.617 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 73' ' ' LEU . 7.6 mp -62.77 -38.39 90.41 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.602 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.57 -48.36 64.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.262 1.025 . . . . 0.0 111.61 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 38.2 mm-40 -55.75 -53.18 59.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.247 1.019 . . . . 0.0 110.132 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -65.75 -36.43 83.54 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.397 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.5 -47.24 79.7 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -38.59 91.57 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.208 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 14.9 mm100 -72.03 -29.93 64.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.212 0.605 . . . . 0.0 111.171 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -77.23 -34.05 56.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.45 0.7 . . . . 0.0 109.961 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.41 -36.55 74.09 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.361 0.665 . . . . 0.0 110.45 173.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 123.794 0.838 . . . . 0.0 111.332 -177.828 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 38.6 tp . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -65.19 -21.16 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.533 . . . . 0.0 111.527 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.9 t -62.01 -55.7 22.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 122.992 0.517 . . . . 0.0 109.966 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 6.3 ptp180 -63.72 -36.05 82.58 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.265 0.353 . . . . 0.0 110.696 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -67.62 -51.89 44.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 123.706 0.802 . . . . 0.0 111.579 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.47 -28.8 70.21 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.43 0.292 . . . . 0.0 111.526 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -74.89 -44.98 45.86 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.899 0.479 . . . . 0.0 111.249 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.96 -38.83 69.7 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.602 0.361 . . . . 0.0 111.015 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HZ2' ' HE2' ' A' ' 80' ' ' LYS . 33.0 m0 -72.64 -34.38 67.24 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.935 0.494 . . . . 0.0 110.422 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -62.91 -39.45 94.57 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.437 0.695 . . . . 0.0 110.459 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.39 -42.09 72.17 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.82 0.7 . . . . 0.0 110.032 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.53 -37.18 86.65 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.105 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.46 -32.24 71.04 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.978 -0.451 . . . . 0.0 111.01 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.23 58.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.955 0.902 . . . . 0.0 111.548 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -97.51 -57.77 2.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.26 0.624 . . . . 0.0 111.265 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.41 -52.04 56.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.415 0.686 . . . . 0.0 110.554 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.45 68.35 0.26 Allowed Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.34 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -117.17 135.87 53.46 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -74.54 -4.07 34.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.336 0.654 . . . . 0.0 112.61 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.9 p -79.69 4.64 15.56 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.427 0.691 . . . . 0.0 111.388 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 tpt85 -51.18 -43.62 61.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.71 1.204 . . . . 0.0 111.757 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.65 -46.13 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 124.277 0.986 . . . . 0.0 111.193 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.93 -33.19 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.295 0.238 . . . . 0.0 111.287 -176.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -76.25 -29.86 57.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.133 0.573 . . . . 0.0 111.172 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.18 -48.64 75.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.89 0.476 . . . . 0.0 110.424 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -75.09 -34.87 61.8 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.553 0.533 . . . . 0.0 111.962 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.14 89.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.616 0.722 . . . . 0.0 110.098 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 55.3 tp -68.69 -40.42 80.07 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.571 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -58.36 -48.08 81.72 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.428 0.691 . . . . 0.0 110.438 -174.554 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.7 p -59.59 -48.26 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.435 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 57' ' ' LEU . 22.7 tp -62.89 -30.09 71.26 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 123.599 0.76 . . . . 0.0 112.299 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.9 mm100 -70.35 -41.65 72.88 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.662 0.385 . . . . 0.0 110.319 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 10.9 ptt180 -100.88 15.6 27.98 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.41 0.684 . . . . 0.0 111.941 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -130.0 93.96 32.4 Favored Pre-proline 0 N--CA 1.479 0.992 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 170.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.88 37.19 0.65 Allowed 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 123.718 2.946 . . . . 0.0 113.934 -170.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD12 HD23 ' A' ' 57' ' ' LEU . 2.1 tm? -83.56 130.36 56.34 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 173.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.439 ' HD2' HD22 ' A' ' 55' ' ' LEU . 55.9 Cg_endo -67.43 88.22 0.33 Allowed 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.322 2.015 . . . . 0.0 111.841 173.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.53 HD23 HD12 ' A' ' 55' ' ' LEU . 79.3 mt -74.14 104.19 4.85 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 171.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -99.92 -45.21 5.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.799 0.839 . . . . 0.0 109.76 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.61 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 37.3 t -90.28 144.77 25.53 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -64.41 -25.9 70.32 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.433 173.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -64.0 -33.1 74.96 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.492 0.717 . . . . 0.0 111.15 173.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 39.4 mt-10 -68.82 -28.32 66.64 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.616 0.366 . . . . 0.0 111.081 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -68.04 -15.12 63.46 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.292 0.637 . . . . 0.0 112.437 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.634 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 22.0 tptm -67.93 -26.26 65.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 0.0 112.199 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.2 pt -63.97 -24.85 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 -175.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.45 111.88 23.96 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 123.758 0.823 . . . . 0.0 108.93 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -77.07 -2.44 34.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.946 0.898 . . . . 0.0 112.112 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -70.63 -29.29 65.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -68.47 0.48 Allowed 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 167.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.71 172.19 34.62 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.499 -170.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.39 -42.5 87.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.378 0.671 . . . . 0.0 112.036 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -67.42 -44.82 77.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.552 0.741 . . . . 0.0 111.375 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.433 HD13 HD13 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -63.13 -44.95 94.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.876 0.871 . . . . 0.0 109.477 178.29 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 10.3 t -57.39 -39.64 76.52 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.516 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -70.46 -34.81 72.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.585 0.553 . . . . 0.0 110.912 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.55 -48.16 83.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.79 0.329 . . . . 0.0 110.485 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.433 HD13 HD13 ' A' ' 73' ' ' LEU . 9.4 mp -68.01 -30.09 69.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.746 0.818 . . . . 0.0 111.949 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.501 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 31.6 t70 -69.83 -45.63 67.4 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.826 0.85 . . . . 0.0 110.368 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 15.4 mm-40 -61.68 -52.95 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.104 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HE2' ' HZ2' ' A' ' 28' ' ' TRP . 29.3 mmmt -57.75 -41.98 83.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.611 0.764 . . . . 0.0 112.075 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.23 -48.13 83.06 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.831 0.452 . . . . 0.0 110.006 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -31.86 73.19 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.633 0.583 . . . . 0.0 111.235 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.4 mt-30 -73.79 -31.51 63.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.003 0.521 . . . . 0.0 110.239 178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.99 -34.11 68.66 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.867 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.58 -32.43 66.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.923 0.489 . . . . 0.0 109.943 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 123.603 0.761 . . . . 0.0 110.815 176.671 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 120.367 0.127 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -63.33 -44.24 95.49 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.229 1.012 . . . . 0.0 112.096 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.26 -45.77 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 123.407 0.442 . . . . 0.0 110.979 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -71.77 -30.59 65.72 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.916 0.486 . . . . 0.0 111.109 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -68.68 -45.15 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.036 0.534 . . . . 0.0 110.237 175.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 76.7 mt -66.06 -29.93 70.36 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 122.325 -0.234 . . . . 0.0 111.335 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.43 ' HA ' HD22 ' A' ' 47' ' ' LEU . 99.3 m -66.97 -49.81 64.25 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.434 0.694 . . . . 0.0 110.867 177.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -67.39 -46.96 71.71 Favored 'General case' 0 C--O 1.199 -1.553 0 O-C-N 123.77 0.669 . . . . 0.0 109.982 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -64.21 -35.44 80.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.291 0.636 . . . . 0.0 111.946 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.9 ttp85 -64.39 -51.31 63.9 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.618 0.723 . . . . 0.0 110.983 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -70.79 -41.33 71.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.464 -174.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.16 -34.31 77.78 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 124.503 1.121 . . . . 0.0 110.559 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.574 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -60.89 -41.32 95.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.09 70.18 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.722 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 m -78.2 -16.31 57.99 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.726 0.81 . . . . 0.0 113.172 -171.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -104.04 -37.8 7.21 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.459 0.704 . . . . 0.0 109.591 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.97 21.86 6.51 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.197 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 mpt_? -74.95 140.95 44.06 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.3 0.64 . . . . 0.0 109.951 172.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -79.78 -5.58 55.62 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.862 0.865 . . . . 0.0 111.002 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 p -75.12 8.59 2.5 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.166 0.986 . . . . 0.0 112.817 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -49.93 -50.34 46.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.905 1.282 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -72.97 -41.23 64.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.0 0.92 . . . . 0.0 111.466 -169.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.86 -40.52 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 122.923 0.489 . . . . 0.0 110.676 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.38 -28.81 61.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.821 0.448 . . . . 0.0 110.875 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -56.45 18.21 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.378 0.671 . . . . 0.0 109.848 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -70.89 -37.05 72.98 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.879 0.737 . . . . 0.0 112.137 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.35 71.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.177 0.591 . . . . 0.0 110.722 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.9 tp -62.49 -48.58 78.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.896 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -53.77 -41.47 67.2 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.288 0.993 . . . . 0.0 110.72 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 58.7 m -64.44 -47.04 80.57 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.367 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' HG ' HD12 ' A' ' 57' ' ' LEU . 4.3 tt -62.69 -35.63 80.32 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.165 0.586 . . . . 0.0 110.276 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.5 mm-40 -65.28 -38.62 90.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.013 0.925 . . . . 0.0 110.855 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -96.32 -2.41 45.88 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.085 0.554 . . . . 0.0 112.166 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.5 t80 -84.96 120.61 73.84 Favored Pre-proline 0 N--CA 1.481 1.089 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -175.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 55' ' ' LEU . 73.8 Cg_endo -73.78 -13.73 24.33 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.83 2.353 . . . . 0.0 113.143 -175.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 54' ' ' PRO . 6.4 mp -85.2 130.77 50.61 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -81.17 98.09 1.02 Allowed 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 122.952 2.435 . . . . 0.0 111.07 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD12 ' HG ' ' A' ' 50' ' ' LEU . 76.3 mt -74.16 96.87 2.82 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.225 -176.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -99.89 0.17 40.79 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.915 0.886 . . . . 0.0 110.494 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -142.55 148.33 37.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.419 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -69.94 -20.5 76.22 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.881 173.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.56 -36.31 73.71 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.485 1.114 . . . . 0.0 110.999 169.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.4 mt-10 -80.82 -33.78 34.46 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.782 0.833 . . . . 0.0 110.833 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.09 62.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.123 0.569 . . . . 0.0 111.093 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 64.2 tttp -56.41 -36.01 68.44 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.061 1.344 . . . . 0.0 112.827 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 62' ' ' GLU . 17.6 pt -66.21 -25.6 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.033 0.533 . . . . 0.0 111.588 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -84.14 115.73 22.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.99 -13.89 62.72 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.027 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -59.9 -33.49 71.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.327 1.051 . . . . 0.0 111.345 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.41 -66.85 0.86 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.525 1.13 . . . . 0.0 108.412 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.04 152.35 20.01 Favored Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -169.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.47 -49.92 75.58 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.25 0.62 . . . . 0.0 112.291 -177.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -62.15 -40.27 95.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.536 0.734 . . . . 0.0 110.62 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.45 HD13 HD13 ' A' ' 77' ' ' LEU . 2.0 tm? -58.57 -53.25 60.48 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 124.265 0.978 . . . . 0.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 60.9 m -66.72 -28.12 68.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.881 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -71.35 -35.89 71.33 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.835 0.71 . . . . 0.0 110.171 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 90.3 mmm -62.25 -48.13 81.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.83 0.452 . . . . 0.0 110.117 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.45 HD13 HD13 ' A' ' 73' ' ' LEU . 10.9 mp -60.6 -40.76 92.97 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.702 0.801 . . . . 0.0 112.177 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.427 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 16.3 t70 -70.49 -42.83 70.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.638 0.775 . . . . 0.0 110.091 -175.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.9 mm-40 -66.25 -37.57 85.81 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.944 -1.026 . . . . 0.0 111.141 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -62.32 -48.27 80.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 0.0 111.517 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.86 -41.13 86.3 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 121.573 0.701 . . . . 0.0 109.622 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.59 -38.62 91.82 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.828 1.251 . . . . 0.0 111.317 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.9 mt-30 -73.2 -32.6 64.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 123.865 0.866 . . . . 0.0 110.448 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -60.77 -42.81 98.23 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.421 1.088 . . . . 0.0 109.879 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.53 -38.51 48.6 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.491 0.717 . . . . 0.0 111.599 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 C-N-CA 123.726 0.811 . . . . 0.0 111.157 -176.362 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.63 -37.1 86.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.244 0.618 . . . . 0.0 112.195 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 m -67.55 -45.68 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 117.839 0.29 . . . . 0.0 110.992 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -68.38 -32.6 72.8 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.486 0.184 . . . . 0.0 110.752 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -66.74 -50.07 63.94 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.249 0.62 . . . . 0.0 110.61 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.18 -30.02 71.1 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.789 0.436 . . . . 0.0 111.417 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.8 m -70.0 -49.97 46.21 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.487 0.715 . . . . 0.0 111.104 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.13 -40.45 68.07 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 -174.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.461 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 39.7 m0 -64.59 -36.33 83.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.806 0.442 . . . . 0.0 110.69 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -56.15 -58.79 6.47 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.89 0.876 . . . . 0.0 110.957 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -79.05 -36.02 41.66 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.322 -168.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.012 0.525 . . . . 0.0 111.288 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -63.2 -48.41 78.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.729 0.412 . . . . 0.0 110.063 175.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB2' ' HD2' ' A' ' 40' ' ' ARG . . . -61.44 -39.39 90.64 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.196 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 t -69.87 -30.15 67.55 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.267 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -85.27 -26.87 26.37 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.697 0.799 . . . . 0.0 110.685 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.73 -24.21 5.52 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.11 0.386 . . . . 0.0 112.805 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 31.7 mmt180 -58.88 134.92 57.34 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.874 0.869 . . . . 0.0 111.58 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -88.03 8.84 24.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.424 0.69 . . . . 0.0 110.312 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -69.53 -2.24 10.84 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.53 0.732 . . . . 0.0 111.623 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HD2' ' HB2' ' A' ' 33' ' ' ALA . 45.2 ttt180 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 123.088 0.555 . . . . 0.0 110.4 171.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -69.67 -35.93 75.57 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.142 -172.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.39 -37.57 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 117.864 0.302 . . . . 0.0 110.492 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -69.72 -29.31 66.67 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.376 0.67 . . . . 0.0 110.424 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.31 -54.99 18.22 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.41 1.084 . . . . 0.0 110.834 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -72.7 -28.46 62.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.806 0.442 . . . . 0.0 111.529 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.26 93.75 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.281 0.632 . . . . 0.0 109.938 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.36 -50.04 69.28 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.557 -1.202 . . . . 0.0 111.105 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.6 mmp_? -58.79 -39.29 80.65 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.854 0.862 . . . . 0.0 111.049 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 32.3 t -65.67 -45.46 82.79 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.359 176.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 57' ' ' LEU . 45.0 tp -63.79 -39.14 93.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.941 0.896 . . . . 0.0 111.647 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -67.36 -41.57 84.89 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.478 0.711 . . . . 0.0 110.911 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -81.48 -20.82 39.38 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.636 0.374 . . . . 0.0 111.271 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 7.8 t80 -76.2 117.19 62.36 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.587 0.755 . . . . 0.0 110.047 -172.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -76.33 -17.55 16.63 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.978 2.452 . . . . 0.0 113.001 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 1.9 tm? -76.32 119.82 78.98 Favored Pre-proline 0 CA--C 1.554 1.131 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.18 101.93 1.18 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.607 2.205 . . . . 0.0 112.014 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 50' ' ' LEU . 91.4 mt -77.06 101.7 6.18 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -84.27 -22.7 30.66 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.523 1.129 . . . . 0.0 110.413 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.8 m -136.71 158.61 44.04 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.187 0.995 . . . . 0.0 110.582 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.45 -16.48 79.97 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.999 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.2 -34.65 75.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.608 1.163 . . . . 0.0 110.519 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 65' ' ' ILE . 46.3 mt-10 -83.25 -26.78 30.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.258 0.623 . . . . 0.0 110.058 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.78 60.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.959 0.503 . . . . 0.0 111.569 173.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 56.0 tttp -62.62 -32.73 73.8 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.427 1.091 . . . . 0.0 111.389 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.4 pt -69.58 -11.79 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 122.687 0.395 . . . . 0.0 111.332 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mp -104.68 113.5 27.12 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.413 0.685 . . . . 0.0 109.647 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.61 -9.65 58.57 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.039 0.935 . . . . 0.0 111.111 173.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -57.67 -39.78 77.87 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.31 1.044 . . . . 0.0 110.581 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.498 ' HB3' HD22 ' A' ' 73' ' ' LEU . 3.1 m-85 -76.33 -54.39 6.84 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.58 145.38 18.93 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.211 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -50.31 -39.41 45.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.04 1.336 . . . . 0.0 113.408 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' NH2' ' HG3' ' A' ' 75' ' ' ARG . 5.1 mmp_? -73.43 -40.18 64.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.02 0.528 . . . . 0.0 111.455 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 69' ' ' PHE . 6.8 tt -69.56 -37.37 76.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.116 0.566 . . . . 0.0 109.719 178.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 71.9 m -63.19 -36.23 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.211 1.004 . . . . 0.0 110.051 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.426 ' HG3' ' NH2' ' A' ' 72' ' ' ARG . 20.4 mmt180 -67.14 -46.72 73.23 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.712 172.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.7 mmm -59.98 -39.81 86.98 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.256 0.551 . . . . 0.0 110.01 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.29 -45.13 70.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.094 1.358 . . . . 0.0 110.796 -174.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.63 -35.09 62.88 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 41.6 mt-10 -68.46 -38.86 81.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.81 0.844 . . . . 0.0 110.831 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.1 mmmt -64.38 -44.85 90.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.091 0.556 . . . . 0.0 110.949 173.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.8 tm? -61.56 -35.2 77.11 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -67.48 -40.9 85.28 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.5 mt-30 -65.48 -34.81 79.15 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.124 0.569 . . . . 0.0 109.873 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -59.67 -49.22 78.59 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 109.999 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 75.0 mt -72.67 -21.88 61.0 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.344 0.658 . . . . 0.0 112.077 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 C-N-CA 122.929 0.491 . . . . 0.0 111.054 -173.473 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.323 0.583 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -72.05 -21.13 61.57 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.158 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.22 -39.65 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 118.016 0.371 . . . . 0.0 110.29 -178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -74.06 -36.49 64.34 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -65.18 -42.33 93.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.874 0.734 . . . . 0.0 111.296 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 77' ' ' LEU . 73.0 mt -73.07 -30.88 64.01 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.484 0.314 . . . . 0.0 111.388 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.5 m -66.88 -47.72 70.98 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.164 0.29 . . . . 0.0 110.692 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.52 -43.89 68.7 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 123.514 0.509 . . . . 0.0 110.52 -175.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -65.18 -30.94 71.89 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 118.204 0.456 . . . . 0.0 111.613 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -68.59 -46.23 69.9 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.783 0.833 . . . . 0.0 110.96 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.36 -40.21 77.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.779 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -68.62 -35.41 77.27 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 124.067 0.947 . . . . 0.0 109.545 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.65 72.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.081 0.552 . . . . 0.0 111.132 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.78 63.06 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.002 0.43 . . . . 0.0 110.508 172.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -74.14 -21.73 59.74 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.619 0.768 . . . . 0.0 112.428 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -109.53 -1.61 18.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.587 0.755 . . . . 0.0 111.136 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.17 14.77 81.57 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.223 0.449 . . . . 0.0 114.223 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -67.6 135.47 52.95 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.775 0.83 . . . . 0.0 110.554 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -80.06 -9.39 59.69 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.308 0.643 . . . . 0.0 112.037 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -79.5 5.13 13.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.798 0.839 . . . . 0.0 112.781 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.5 -40.98 75.9 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.013 0.525 . . . . 0.0 112.167 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.77 -35.03 67.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 8.6 p -76.68 -32.06 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 122.489 0.316 . . . . 0.0 110.265 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.79 -33.17 72.0 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.844 0.458 . . . . 0.0 110.529 171.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -52.11 32.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.604 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 19.3 ptpt -71.48 -30.21 65.72 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.36 0.413 . . . . 0.0 111.442 -175.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.44 76.1 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.013 0.525 . . . . 0.0 109.918 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 54.6 tp -58.32 -50.76 72.49 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.819 173.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -60.59 -38.11 83.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.379 1.072 . . . . 0.0 110.615 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 t -69.14 -34.91 75.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.933 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.663 ' HG ' HD12 ' A' ' 57' ' ' LEU . 6.7 tt -73.24 -41.48 63.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.449 0.7 . . . . 0.0 109.565 178.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 57.6 mt-30 -61.87 -35.2 77.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.924 0.89 . . . . 0.0 111.578 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -85.68 -35.17 21.04 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 122.803 0.441 . . . . 0.0 111.81 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -72.83 118.19 66.09 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.274 0.63 . . . . 0.0 109.635 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.99 43.75 1.44 Allowed 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.844 2.363 . . . . 0.0 112.871 -173.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.7 tp -122.81 127.56 25.7 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 123.296 0.638 . . . . 0.0 109.781 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.55 89.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.559 2.839 . . . . 0.0 112.576 170.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.663 HD12 ' HG ' ' A' ' 50' ' ' LEU . 95.7 mt -82.47 91.29 6.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.183 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.03 -26.76 10.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.259 0.624 . . . . 0.0 109.864 169.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 m -86.0 123.91 31.85 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -65.48 -23.95 70.61 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 123.429 0.456 . . . . 0.0 113.781 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -58.85 -32.3 69.31 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.515 1.126 . . . . 0.0 111.451 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.28 6.8 35.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.551 0.74 . . . . 0.0 112.452 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.45 25.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 122.525 0.33 . . . . 0.0 110.851 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 34.7 ttpt -71.79 -15.68 62.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -173.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 pt -66.75 -19.33 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 122.492 0.317 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . 2.8 mp -97.46 141.0 31.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.27 0.628 . . . . 0.0 109.357 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -66.86 -28.08 68.05 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.098 0.959 . . . . 0.0 113.132 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -72.39 -21.21 61.31 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 7.4 m-85 -84.1 -81.62 0.17 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.99 179.93 41.38 Favored Glycine 0 N--CA 1.473 1.143 0 CA-C-O 120.093 -0.282 . . . . 0.0 112.408 -174.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.81 -48.05 80.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.76 0.824 . . . . 0.0 112.934 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.5 -46.22 83.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.285 0.634 . . . . 0.0 110.778 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -50.45 62.15 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.717 -176.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 38.8 t -61.28 -34.06 74.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.623 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.53 -34.96 75.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.711 0.632 . . . . 0.0 110.21 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.16 -52.05 67.35 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.715 0.406 . . . . 0.0 110.2 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 25' ' ' LEU . 10.2 mp -62.91 -39.18 93.75 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.229 0.611 . . . . 0.0 111.949 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.473 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 25.7 t70 -74.72 -41.07 60.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 0.0 111.381 -174.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.5 mm-40 -64.4 -51.75 61.69 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.131 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -60.15 -42.56 95.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.991 0.517 . . . . 0.0 111.477 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.87 -39.57 94.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.034 0.534 . . . . 0.0 109.881 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -61.52 -39.69 91.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.585 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mm-40 -76.09 -35.62 59.28 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.488 0.315 . . . . 0.0 110.473 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -52.7 -50.63 62.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.963 1.305 . . . . 0.0 110.255 173.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.77 -50.3 65.26 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.265 176.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -174.268 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 121.297 0.57 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 50' ' ' LEU . 18.7 m-30 -70.26 -21.13 63.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.005 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.28 -43.9 91.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -73.0 -34.91 66.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 122.562 0.345 . . . . 0.0 110.112 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -71.61 -34.72 70.1 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 123.747 0.654 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.609 HD21 HD21 ' A' ' 73' ' ' LEU . 71.4 mt -76.48 -28.27 56.41 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.583 0.353 . . . . 0.0 111.717 174.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.5 m -69.55 -49.46 54.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.849 0.459 . . . . 0.0 110.407 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.03 -38.87 83.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.499 0.319 . . . . 0.0 110.949 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -68.31 -40.29 81.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.066 0.546 . . . . 0.0 111.099 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HG2' ' NH1' ' A' ' 40' ' ' ARG . 19.9 ttp85 -62.41 -37.36 85.52 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 109.999 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -46.44 72.92 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.648 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.51 -35.27 79.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.576 0.75 . . . . 0.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.48 56.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.875 0.87 . . . . 0.0 111.206 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB2' ' NH1' ' A' ' 40' ' ' ARG . . . -75.67 -58.92 3.0 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 171.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.5 m -61.57 -46.67 88.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.406 1.082 . . . . 0.0 112.052 -172.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -81.54 -18.21 45.77 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.855 0.862 . . . . 0.0 110.59 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.92 82.1 0.45 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.64 144.24 50.97 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.03 0.932 . . . . 0.0 109.001 -174.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -61.29 -31.54 71.38 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.055 0.455 . . . . 0.0 110.44 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 p -67.97 -5.2 15.94 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.508 1.123 . . . . 0.0 113.545 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' NH1' ' HG2' ' A' ' 29' ' ' ARG . 20.4 tpt180 -51.01 -45.41 61.22 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.594 0.758 . . . . 0.0 111.125 173.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -73.06 -36.74 66.93 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.946 -174.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.46 -39.21 47.8 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 CA-C-N 117.509 0.14 . . . . 0.0 110.777 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.6 -33.15 73.55 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.844 0.457 . . . . 0.0 110.408 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -63.73 -56.28 16.82 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.96 0.904 . . . . 0.0 110.784 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -71.33 -29.39 64.95 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.604 0.565 . . . . 0.0 111.663 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.061 0.545 . . . . 0.0 110.361 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.7 tp -64.03 -42.52 97.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.483 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -63.89 -40.15 95.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.063 0.545 . . . . 0.0 111.231 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 69.9 m -65.11 -37.54 87.79 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.412 0.685 . . . . 0.0 110.842 176.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.642 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.5 tt -68.18 -39.79 82.42 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.529 0.732 . . . . 0.0 109.487 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.68 -44.83 92.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.556 0.742 . . . . 0.0 111.24 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -77.95 -17.66 56.94 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.574 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 49' ' ' SER . 3.3 t80 -77.62 118.78 74.24 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.041 0.536 . . . . 0.0 109.759 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -84.76 25.38 0.7 Allowed 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.841 2.36 . . . . 0.0 113.608 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -112.3 137.02 21.4 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 123.264 0.626 . . . . 0.0 109.521 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.0 93.18 1.08 Allowed 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.726 2.284 . . . . 0.0 111.345 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.642 HD12 ' HG ' ' A' ' 50' ' ' LEU . 65.8 mt -79.45 105.48 10.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.3 0.64 . . . . 0.0 110.387 -176.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -132.45 -3.68 3.38 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.713 0.805 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.664 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.8 t -120.84 138.05 54.25 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.77 -24.79 62.81 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 123.471 0.482 . . . . 0.0 113.356 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.6 -44.69 93.25 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.895 0.878 . . . . 0.0 110.163 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.664 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 15.3 mm-40 -72.17 -25.36 61.66 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.415 0.686 . . . . 0.0 110.975 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.94 -21.45 34.1 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.963 0.505 . . . . 0.0 111.273 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 52.2 tttm -72.68 -29.14 63.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.726 0.81 . . . . 0.0 112.035 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 pt -63.86 -17.42 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 122.702 0.401 . . . . 0.0 111.583 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.4 105.88 17.98 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.09 -9.56 58.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -65.25 -25.24 67.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.98 0.912 . . . . 0.0 110.368 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.634 ' HB3' HD22 ' A' ' 73' ' ' LEU . 1.5 m-30 -77.68 -50.82 11.67 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.924 0.89 . . . . 0.0 109.27 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.43 153.21 30.07 Favored Glycine 0 C--N 1.342 0.909 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.574 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.11 -46.39 44.77 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.816 1.246 . . . . 0.0 112.562 -174.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.19 -52.09 63.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.935 0.894 . . . . 0.0 110.224 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.0 tt -65.3 -40.02 93.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.008 0.923 . . . . 0.0 110.906 -175.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 78.5 m -61.47 -37.67 84.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.565 0.746 . . . . 0.0 111.022 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.82 -35.42 67.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.036 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.5 mtp -64.43 -41.09 96.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.586 0.754 . . . . 0.0 110.802 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.26 -43.76 98.34 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.051 0.94 . . . . 0.0 110.955 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.36 -31.96 73.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.069 0.948 . . . . 0.0 111.147 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.48 -48.25 50.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.592 0.757 . . . . 0.0 110.519 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.62 -50.34 74.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.926 0.49 . . . . 0.0 110.817 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.26 -43.13 78.44 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 124.347 1.029 . . . . 0.0 110.203 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -61.7 -49.88 74.71 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.167 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -74.66 -34.15 62.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.974 0.51 . . . . 0.0 111.124 -170.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.76 -52.9 54.53 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 124.029 0.831 . . . . 0.0 109.571 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.3 mt -70.77 -24.22 62.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.695 0.622 . . . . 0.0 111.257 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.151 0 C-N-CA 123.084 0.554 . . . . 0.0 109.987 174.7 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -64.33 -45.46 87.74 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.3 -36.53 49.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -70.41 -42.51 71.54 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.35 0.26 . . . . 0.0 110.394 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.42 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 26.2 m0 -65.66 -43.09 90.45 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.526 0.517 . . . . 0.0 110.859 -176.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.597 HD21 HD11 ' A' ' 73' ' ' LEU . 73.1 mt -66.41 -34.34 77.73 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -74.76 -45.36 44.34 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 117.737 0.244 . . . . 0.0 111.189 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 13.1 pt-20 -72.41 -39.54 67.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.728 0.411 . . . . 0.0 110.819 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.434 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 51.7 m0 -72.51 -33.01 66.61 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.838 0.455 . . . . 0.0 109.986 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.4 ttm180 -60.07 -51.56 69.09 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.144 0.497 . . . . 0.0 110.283 171.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.1 -44.12 97.36 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.188 0.995 . . . . 0.0 110.625 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.38 -42.46 87.91 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.73 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.76 70.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.253 0.621 . . . . 0.0 111.1 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.81 88.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.663 0.785 . . . . 0.0 110.525 175.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -86.65 -29.82 22.23 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.363 0.665 . . . . 0.0 112.643 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -101.42 7.98 42.35 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.76 0.824 . . . . 0.0 112.024 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.79 28.07 72.46 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.525 0.516 . . . . 0.0 114.308 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.22 130.87 38.76 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.233 0.613 . . . . 0.0 109.424 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -78.0 -10.14 59.46 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.756 0.822 . . . . 0.0 110.885 -176.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.8 p -68.2 -10.73 56.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.487 0.715 . . . . 0.0 112.052 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 23.4 ttp180 -51.78 -42.19 62.23 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.394 0.616 . . . . 0.0 110.953 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -68.7 -37.79 79.8 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 113.706 -1.588 . . . . 0.0 111.2 -175.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.14 -34.71 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 117.576 0.171 . . . . 0.0 110.56 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -68.09 -30.26 69.4 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.005 0.522 . . . . 0.0 110.063 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.454 ' HA ' HH21 ' A' ' 29' ' ' ARG . 52.7 tt0 -71.74 -54.9 8.77 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.918 0.887 . . . . 0.0 111.272 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -70.29 -32.79 70.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.763 0.664 . . . . 0.0 111.767 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.47 64.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.825 0.45 . . . . 0.0 110.713 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 57.5 tp -63.33 -45.85 89.35 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.4 -34.32 75.16 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.681 0.613 . . . . 0.0 110.727 -177.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.3 t -64.7 -40.87 96.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.616 0.767 . . . . 0.0 110.463 173.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 tp -73.18 -30.64 63.69 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.503 0.721 . . . . 0.0 111.003 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 19.6 mm-40 -68.04 -38.45 82.51 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.588 0.755 . . . . 0.0 110.839 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -84.29 -24.3 29.93 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.43 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 10.0 t80 -82.55 116.33 63.21 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.083 0.553 . . . . 0.0 109.549 -176.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -80.32 1.96 8.86 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.94 2.427 . . . . 0.0 113.539 -173.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.428 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -94.75 114.7 64.17 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.54 96.74 1.0 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.209 1.94 . . . . 0.0 110.624 173.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 66' ' ' LEU . 78.1 mt -52.53 -50.09 63.56 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.42 1.088 . . . . 0.0 111.677 -174.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 71.12 -61.04 0.49 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.258 1.423 . . . . 0.0 112.154 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -89.3 148.0 23.79 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.828 0.851 . . . . 0.0 110.001 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.49 -20.07 79.26 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.37 -33.36 75.66 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.429 0.614 . . . . 0.0 111.609 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.5 mt-10 -79.34 -9.77 59.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.679 . . . . 0.0 112.204 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -75.11 -17.47 60.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.811 0.444 . . . . 0.0 111.214 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -69.22 -33.92 74.05 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.045 0.938 . . . . 0.0 112.014 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 62' ' ' GLU . 27.6 pt -63.65 -32.98 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 120.813 0.34 . . . . 0.0 110.742 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 57' ' ' LEU . 96.1 mt -86.52 104.84 16.36 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.73 -22.55 65.47 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.892 1.277 . . . . 0.0 112.475 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -59.8 -33.2 71.41 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.597 0.759 . . . . 0.0 110.758 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.445 ' HD2' HD12 ' A' ' 73' ' ' LEU . 5.1 m-85 -71.46 -70.28 0.33 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 171.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 176.46 51.24 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.81 -43.53 98.56 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.03 -45.69 87.77 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.886 0.474 . . . . 0.0 110.952 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.597 HD11 HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -69.56 -48.96 58.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.851 0.86 . . . . 0.0 109.67 -176.717 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 38.7 t -55.58 -38.45 69.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.62 1.168 . . . . 0.0 110.891 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -67.9 -46.92 70.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.504 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 86.4 mmm -55.22 -53.75 52.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 111.499 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD13 HD13 ' A' ' 73' ' ' LEU . 8.0 mp -67.54 -32.02 72.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.987 0.515 . . . . 0.0 111.69 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.28 -47.1 65.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.119 0.568 . . . . 0.0 110.828 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 61.6 mt-10 -69.54 -46.46 66.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.945 0.898 . . . . 0.0 110.747 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 28.8 mmmt -64.39 -41.59 96.58 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.548 0.739 . . . . 0.0 111.141 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 57.0 tp -54.2 -48.39 71.04 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.863 0.727 . . . . 0.0 109.19 174.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.08 -40.57 94.19 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.487 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 78.2 mt-30 -65.47 -39.21 91.7 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.414 0.626 . . . . 0.0 110.632 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -70.51 -46.69 63.19 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.168 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 63.9 mt -74.24 -28.02 61.04 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.959 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.408 0 C-N-CA 123.275 0.63 . . . . 0.0 110.657 179.293 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -65.37 -33.41 75.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.265 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -55.25 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 122.611 0.364 . . . . 0.0 110.765 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -60.33 -34.25 73.56 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 122.992 0.182 . . . . 0.0 111.008 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -65.61 -47.44 75.67 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.473 0.709 . . . . 0.0 111.392 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.73 -28.37 68.37 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.946 0.498 . . . . 0.0 111.354 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -71.3 -51.62 23.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.889 0.876 . . . . 0.0 110.846 177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 12.7 pt-20 -68.11 -42.6 80.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.474 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.0 -35.63 76.9 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.217 0.607 . . . . 0.0 110.718 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -41.99 91.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.681 0.793 . . . . 0.0 110.771 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.34 -37.76 68.79 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.767 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 50.3 mm-40 -61.19 -42.13 98.03 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.85 -21.2 60.98 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.025 0.93 . . . . 0.0 112.093 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -76.29 -49.83 15.96 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.043 0.537 . . . . 0.0 110.697 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -74.6 -52.85 10.64 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.581 0.753 . . . . 0.0 111.481 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -68.29 -27.89 66.71 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.97 0.908 . . . . 0.0 110.821 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.64 83.5 0.67 Allowed Glycine 0 C--N 1.351 1.362 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -130.74 145.1 51.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.391 1.076 . . . . 0.0 109.214 -176.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -68.48 -22.09 64.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.098 0.959 . . . . 0.0 112.007 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.4 p -78.68 -5.6 53.51 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 13.3 ttp180 -52.42 -40.81 62.6 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.393 0.616 . . . . 0.0 111.674 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -71.17 -44.39 65.6 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.112 -1.404 . . . . 0.0 111.21 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.19 -34.04 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.122 0.169 . . . . 0.0 110.631 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -64.79 -42.37 95.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.035 0.534 . . . . 0.0 109.962 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -65.16 -45.2 85.92 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.131 0.973 . . . . 0.0 111.914 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -65.32 -48.8 71.8 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.608 0.763 . . . . 0.0 110.477 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.32 90.52 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.559 177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.35 -52.13 65.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.982 0.913 . . . . 0.0 110.513 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -46.75 87.82 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.989 0.916 . . . . 0.0 110.252 -176.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -60.23 -43.35 96.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.483 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -66.97 -40.1 87.37 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.143 0.577 . . . . 0.0 110.313 -177.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -68.07 -27.01 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.676 0.79 . . . . 0.0 112.325 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 ptt85 -95.42 -22.61 17.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.655 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HE2' HD21 ' A' ' 57' ' ' LEU . 12.4 t80 -76.87 117.66 66.41 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 123.889 0.876 . . . . 0.0 109.595 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.87 32.04 0.51 Allowed 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 123.124 2.549 . . . . 0.0 113.787 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -124.44 119.28 26.13 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -67.65 96.78 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.326 2.017 . . . . 0.0 111.573 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' A' ' 50' ' ' LEU . 77.7 mt -68.09 104.05 1.68 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.363 0.665 . . . . 0.0 110.065 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -98.96 -10.67 22.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.836 0.854 . . . . 0.0 111.157 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.5 m -142.31 154.09 44.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.157 0.583 . . . . 0.0 111.031 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.539 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.79 -24.11 71.17 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.465 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.88 -48.4 70.11 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.16 0.984 . . . . 0.0 110.398 169.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.3 mt-10 -75.68 -32.54 60.18 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.747 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -73.44 -29.3 62.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.555 0.742 . . . . 0.0 111.896 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.519 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.1 ttpt -68.66 -23.96 64.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.491 1.116 . . . . 0.0 112.603 -172.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 62' ' ' GLU . 24.0 pt -73.64 -18.39 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.386 0.275 . . . . 0.0 111.216 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -95.6 117.77 31.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -73.28 -16.29 61.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -67.8 -18.71 64.94 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.082 0.553 . . . . 0.0 111.545 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -83.39 -75.27 0.33 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 174.11 38.48 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 116.706 -0.225 . . . . 0.0 112.84 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.33 -59.61 4.71 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.885 0.874 . . . . 0.0 112.065 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -54.74 -48.19 72.88 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.501 1.12 . . . . 0.0 111.505 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 77' ' ' LEU . 1.5 tm? -63.15 -52.3 62.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.791 1.236 . . . . 0.0 110.235 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 63.3 m -64.3 -34.45 78.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.162 0.585 . . . . 0.0 111.737 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.97 -41.27 91.4 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.89 0.744 . . . . 0.0 111.055 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.6 mtp -61.51 -51.07 70.15 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 73' ' ' LEU . 6.9 mp -58.28 -41.97 85.52 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.819 0.848 . . . . 0.0 112.092 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.539 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 29.5 t70 -73.01 -43.07 62.55 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.832 0.853 . . . . 0.0 110.851 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.4 mm-40 -65.6 -43.27 90.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -61.5 -43.43 98.87 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.217 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.91 -41.21 95.66 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.782 0.833 . . . . 0.0 109.42 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -61.99 -40.08 94.41 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.34 1.056 . . . . 0.0 110.743 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 53.8 mt-30 -70.67 -33.45 70.96 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.153 0.501 . . . . 0.0 109.834 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -70.24 -32.08 69.77 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.886 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.67 -34.84 58.21 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.96 0.504 . . . . 0.0 110.416 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 123.608 0.763 . . . . 0.0 111.824 -174.587 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -63.95 -22.46 66.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.475 0.71 . . . . 0.0 111.697 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.5 -53.1 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.145 0.43 . . . . 0.0 110.53 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' NH2' ' HE1' ' A' ' 24' ' ' TRP . 32.5 ptt85 -70.89 -33.11 70.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -177.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.411 ' HE1' ' NH2' ' A' ' 23' ' ' ARG . 40.6 m0 -67.56 -45.67 74.94 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 123.809 0.693 . . . . 0.0 111.125 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.558 HD21 HD21 ' A' ' 73' ' ' LEU . 95.2 mt -65.05 -32.01 73.51 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.501 0.32 . . . . 0.0 111.284 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.538 HG23 HH21 ' A' ' 29' ' ' ARG . 90.0 m -68.66 -50.26 52.57 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.44 0.696 . . . . 0.0 111.336 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 11.0 pt-20 -73.33 -39.63 65.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -172.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' HZ3' HD12 ' A' ' 77' ' ' LEU . 47.8 m0 -71.73 -31.12 66.36 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.979 0.512 . . . . 0.0 110.757 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.538 HH21 HG23 ' A' ' 26' ' ' THR . 22.0 ttp180 -60.18 -46.67 88.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.549 0.74 . . . . 0.0 110.388 169.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.62 -32.1 69.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.312 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 14.0 mm-40 -74.13 -30.94 62.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.186 0.594 . . . . 0.0 110.617 174.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -74.72 -21.95 59.09 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.596 0.359 . . . . 0.0 111.21 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.53 -42.52 14.34 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.49 0.716 . . . . 0.0 110.403 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -74.66 -48.82 24.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.773 0.829 . . . . 0.0 111.245 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -82.56 -3.0 55.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.912 0.885 . . . . 0.0 111.336 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.6 40.04 90.64 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.204 0.315 . . . . 0.0 113.342 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 36.6 mmt180 -87.01 -16.31 36.07 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.411 0.684 . . . . 0.0 111.526 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m80 71.12 -13.2 0.53 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.498 1.519 . . . . 0.0 113.826 173.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 p -73.74 5.44 4.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.914 0.886 . . . . 0.0 112.607 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -56.48 -30.1 62.53 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 123.593 0.757 . . . . 0.0 111.68 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.21 -39.76 71.55 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.753 0.821 . . . . 0.0 112.082 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.62 -36.55 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -70.13 -30.27 67.41 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.507 0.723 . . . . 0.0 110.981 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.94 -49.22 25.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.588 1.155 . . . . 0.0 111.431 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.9 -32.09 70.24 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.446 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.32 81.47 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.098 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.2 tp -59.48 -50.48 73.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.629 0.772 . . . . 0.0 110.92 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -60.26 -48.12 83.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 78.1 p -66.43 -32.73 74.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.7 -36.82 83.41 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.394 0.678 . . . . 0.0 110.397 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.7 mm-40 -69.86 -30.55 68.05 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 121.246 0.546 . . . . 0.0 110.731 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -91.9 -3.64 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.093 0.957 . . . . 0.0 111.353 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' SER . 7.0 t80 -105.02 100.39 24.26 Favored Pre-proline 0 N--CA 1.481 1.104 0 C-N-CA 123.799 0.84 . . . . 0.0 109.056 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -78.07 4.28 6.32 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.955 2.437 . . . . 0.0 113.787 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.488 HD22 ' HD2' ' A' ' 56' ' ' PRO . 2.9 tm? -82.08 118.26 71.39 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.488 ' HD2' HD22 ' A' ' 55' ' ' LEU . 53.2 Cg_endo -67.43 94.01 0.36 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.839 2.359 . . . . 0.0 112.578 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.86 82.84 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 108.986 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -81.67 -22.01 37.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 122.108 -0.37 . . . . 0.0 110.457 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -111.64 140.33 46.35 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.467 1.107 . . . . 0.0 108.246 171.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.64 -12.47 84.19 Favored Glycine 0 C--O 1.221 -0.674 0 CA-C-O 119.813 -0.437 . . . . 0.0 113.432 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.33 -22.11 65.62 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.008 0.523 . . . . 0.0 110.231 171.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 65' ' ' ILE . 35.6 mt-10 -74.03 -15.18 61.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.351 0.66 . . . . 0.0 111.362 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.28 -15.24 62.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.928 0.491 . . . . 0.0 111.039 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -64.67 -37.31 87.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.633 0.773 . . . . 0.0 111.338 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 62' ' ' GLU . 10.2 pt -69.86 -9.23 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 120.552 0.215 . . . . 0.0 111.117 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -109.47 108.82 19.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 166.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -68.37 -12.64 61.43 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.825 0.85 . . . . 0.0 111.796 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -62.99 -31.92 73.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.98 0.912 . . . . 0.0 111.091 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.623 ' HB3' HD22 ' A' ' 73' ' ' LEU . 1.2 m-85 -80.39 -55.24 5.03 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.96 163.71 36.24 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.897 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.83 93.16 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.98 0.912 . . . . 0.0 112.99 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.16 -43.53 82.02 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.356 0.662 . . . . 0.0 111.082 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.1 tt -72.27 -37.86 68.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 t -59.46 -39.86 85.01 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.824 0.85 . . . . 0.0 110.372 174.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.06 -42.46 80.46 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.397 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 mmt -57.61 -53.22 60.59 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.321 0.648 . . . . 0.0 110.752 176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.42 HD12 ' HZ3' ' A' ' 28' ' ' TRP . 8.0 mp -60.01 -41.51 92.31 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.805 0.842 . . . . 0.0 111.886 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.74 -47.0 73.64 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.302 0.572 . . . . 0.0 110.945 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 49.5 mt-10 -68.76 -43.42 75.85 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.16 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -66.17 -35.73 81.22 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.416 0.687 . . . . 0.0 111.757 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.7 tm? -62.97 -44.24 96.6 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.31 -32.78 72.64 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.041 0.936 . . . . 0.0 111.181 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.5 mm-40 -75.55 -32.02 60.28 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.302 0.501 . . . . 0.0 110.101 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -65.71 -30.65 71.35 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.488 0.715 . . . . 0.0 110.502 173.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 73.5 mt -79.41 -51.84 8.86 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.683 0.393 . . . . 0.0 110.648 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.874 0 C-N-CA 123.978 0.911 . . . . 0.0 111.863 -171.676 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.1 mt . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.46 -21.3 66.63 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.802 0.841 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.64 -56.65 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.138 0.426 . . . . 0.0 109.986 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -62.28 -38.52 89.66 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 48.2 m0 -67.2 -47.97 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.143 0.577 . . . . 0.0 111.783 -177.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD21 HD11 ' A' ' 77' ' ' LEU . 87.2 mt -64.08 -28.71 69.97 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.728 0.411 . . . . 0.0 111.227 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.4 m -72.63 -47.2 49.57 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.064 0.545 . . . . 0.0 111.503 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 11.6 pt-20 -72.83 -35.31 67.25 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.508 0.323 . . . . 0.0 111.281 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 41.3 m0 -74.71 -30.69 61.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.217 0.607 . . . . 0.0 110.491 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -61.55 -43.05 99.57 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.714 0.806 . . . . 0.0 109.961 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.28 -37.44 80.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.462 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 82.4 mt-10 -63.86 -40.35 96.37 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.582 0.706 . . . . 0.0 109.98 172.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . . . -68.7 -20.21 64.4 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.874 -0.517 . . . . 0.0 111.872 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.72 -35.71 22.31 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.395 0.678 . . . . 0.0 111.737 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 p -100.06 -56.29 2.41 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.332 0.653 . . . . 0.0 112.758 -171.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.1 -40.91 91.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.208 1.003 . . . . 0.0 110.504 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.07 35.83 4.66 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.873 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -70.33 -25.55 63.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.55 0.74 . . . . 0.0 109.91 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.2 m170 73.38 -18.72 0.36 Allowed 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 125.788 1.635 . . . . 0.0 113.285 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 p -75.31 11.16 1.28 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.435 1.094 . . . . 0.0 112.616 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.522 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 28.0 ptt180 -59.56 -23.2 62.69 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.759 0.824 . . . . 0.0 112.033 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -75.61 -41.96 53.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.565 0.746 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -77.15 -35.34 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 117.763 0.256 . . . . 0.0 110.933 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -64.67 -31.9 73.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.105 0.562 . . . . 0.0 109.869 172.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.13 -53.19 32.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.189 0.596 . . . . 0.0 110.298 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -63.65 -41.63 98.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.022 0.529 . . . . 0.0 111.818 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.4 91.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.59 0.756 . . . . 0.0 110.549 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.36 -51.05 56.95 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.948 0.899 . . . . 0.0 111.278 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 24.6 mmt180 -63.92 -44.89 91.55 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.004 0.922 . . . . 0.0 110.164 -175.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 90.5 p -62.68 -40.54 97.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.717 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.3 tt -60.23 -41.85 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.056 0.942 . . . . 0.0 109.593 177.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -70.57 -21.41 62.69 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.526 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' ARG . 62.8 mtp180 -102.43 -5.79 23.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.299 0.64 . . . . 0.0 111.001 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.4 t80 -97.53 112.33 60.98 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.798 0.839 . . . . 0.0 108.765 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.63 33.72 0.47 Allowed 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 123.014 2.476 . . . . 0.0 113.001 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.85 145.7 32.92 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.862 0.865 . . . . 0.0 108.98 172.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -74.17 92.24 0.92 Allowed 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.855 2.37 . . . . 0.0 112.152 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.717 HD12 ' HG ' ' A' ' 50' ' ' LEU . 42.2 mt -89.52 72.84 7.86 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -97.64 -40.66 8.5 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 0.0 110.058 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -95.43 149.71 21.09 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.327 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.472 ' O ' ' SG ' ' A' ' 74' ' ' CYS . . . -60.89 -32.47 79.81 Favored Glycine 0 C--N 1.351 1.396 0 O-C-N 123.426 0.454 . . . . 0.0 112.578 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -49.5 -37.58 27.01 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.501 1.121 . . . . 0.0 111.868 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.513 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.5 mm-40 -83.8 -37.95 21.9 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.748 0.819 . . . . 0.0 111.068 -177.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.41 64.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.937 0.495 . . . . 0.0 111.59 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 35.1 ttpt -75.02 -19.7 59.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.298 1.039 . . . . 0.0 112.33 -175.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.0 pt -71.91 -20.05 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -94.12 135.64 35.27 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -85.22 -9.28 57.96 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.809 0.844 . . . . 0.0 110.833 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -58.56 -41.77 86.41 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.798 0.809 . . . . 0.0 109.351 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.88 -73.06 0.31 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.869 -1.514 . . . . 0.0 107.544 166.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.12 173.47 47.53 Favored Glycine 0 C--N 1.341 0.829 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -166.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.46 -41.31 84.87 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -76.8 -36.53 56.89 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.797 0.439 . . . . 0.0 111.97 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.29 -49.5 73.79 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 44.0 t -64.78 -26.13 68.22 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.764 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -62.17 -44.24 97.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.9 mmm -57.13 -48.38 78.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.818 0.447 . . . . 0.0 110.613 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 HD21 ' A' ' 25' ' ' LEU . 10.5 mp -62.69 -42.95 99.9 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.428 0.691 . . . . 0.0 112.693 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.3 -40.42 62.27 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.54 -172.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -59.35 -49.82 76.36 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.204 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.444 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.9 mmmt -63.86 -41.56 97.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.404 0.682 . . . . 0.0 112.079 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.2 tm? -58.88 -46.31 88.11 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -64.74 -34.96 79.57 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.591 1.156 . . . . 0.0 111.741 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -72.33 -34.39 68.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.014 0.526 . . . . 0.0 110.093 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -68.2 -38.56 82.11 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.222 1.009 . . . . 0.0 109.396 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 91.8 mt -66.84 -47.42 72.04 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.94 0.896 . . . . 0.0 110.724 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.14 0 C-N-CA 123.907 0.883 . . . . 0.0 112.12 -175.568 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.432 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 4.7 m-30 -60.05 -48.58 81.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.524 ' HB ' HD22 ' A' ' 50' ' ' LEU . 5.8 p -64.26 -46.88 92.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 123.347 0.404 . . . . 0.0 111.403 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.51 -29.9 69.44 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.43 0.292 . . . . 0.0 110.86 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 36.6 m0 -69.03 -47.06 66.35 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.555 0.534 . . . . 0.0 111.035 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.83 -28.48 69.88 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.316 0.246 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.5 m -71.63 -51.49 22.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.378 0.671 . . . . 0.0 110.783 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.8 pt-20 -72.33 -35.2 68.53 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.861 0.464 . . . . 0.0 111.192 -172.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -72.8 -35.34 67.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.042 0.537 . . . . 0.0 110.245 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -67.15 -35.45 79.73 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.152 0.581 . . . . 0.0 110.632 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.87 -35.63 67.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.461 0.704 . . . . 0.0 110.605 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.27 -29.47 65.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.603 0.761 . . . . 0.0 109.758 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 40' ' ' ARG . . . -74.92 -23.08 58.29 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.932 0.493 . . . . 0.0 111.414 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.29 -43.9 20.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.42 0.688 . . . . 0.0 110.08 172.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -77.52 -61.84 1.86 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 111.029 -174.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -73.52 -56.77 4.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.893 0.877 . . . . 0.0 109.762 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.99 73.51 0.56 Allowed Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.214 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.499 ' H ' ' HA ' ' A' ' 32' ' ' ALA . 39.8 mmt180 -92.62 146.32 23.75 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 175.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.37 -33.8 69.88 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.607 0.718 . . . . 0.0 109.89 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 p -76.51 10.09 2.32 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 114.658 -1.155 . . . . 0.0 113.589 -174.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.534 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 51.9 ttp180 -55.54 -39.04 70.06 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.64 0.776 . . . . 0.0 112.233 179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.56 -42.63 82.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.041 0.937 . . . . 0.0 111.398 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.449 HG13 HD23 ' A' ' 73' ' ' LEU . 7.9 p -76.1 -29.85 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.682 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.919 0.488 . . . . 0.0 109.946 172.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -64.34 -56.61 13.23 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.223 1.009 . . . . 0.0 111.286 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -68.84 -30.34 68.86 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.34 0.4 . . . . 0.0 111.547 -173.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.52 69.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.595 0.559 . . . . 0.0 110.725 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 46.0 tp -61.87 -49.39 76.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.192 0.597 . . . . 0.0 110.513 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -37.71 78.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.548 0.739 . . . . 0.0 109.669 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.616 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.3 tt -70.31 -37.01 74.66 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.503 0.721 . . . . 0.0 109.54 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.7 mm100 -61.04 -45.31 95.3 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.663 0.785 . . . . 0.0 111.276 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -82.33 -20.71 36.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.357 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 17.2 t80 -85.36 111.84 39.6 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 53' ' ' TYR . 7.7 Cg_exo -73.12 -23.45 18.14 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 123.078 2.518 . . . . 0.0 113.223 -172.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 2.1 tm? -65.88 115.91 27.37 Favored Pre-proline 0 CA--C 1.551 0.991 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -68.38 102.41 0.82 Allowed 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.928 2.419 . . . . 0.0 111.497 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.531 HD12 ' HG ' ' A' ' 50' ' ' LEU . 85.9 mt -72.22 101.01 2.72 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.359 0.664 . . . . 0.0 109.808 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -103.2 -39.65 6.76 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.314 1.046 . . . . 0.0 110.004 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -110.24 145.98 36.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.955 0.902 . . . . 0.0 109.272 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.82 -19.32 67.33 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 116.693 -0.23 . . . . 0.0 112.92 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -51.27 -48.25 62.25 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.662 1.185 . . . . 0.0 110.732 165.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 mt-10 -75.41 -38.27 59.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.738 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -69.53 -36.93 76.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.313 0.645 . . . . 0.0 112.384 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 6.4 ttpm? -71.31 -22.63 61.91 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.417 0.687 . . . . 0.0 112.271 -171.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.3 pt -63.65 -27.17 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.801 0.441 . . . . 0.0 111.618 -174.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.3 143.33 32.32 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.668 0.387 . . . . 0.0 110.503 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -86.73 36.54 0.72 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.711 1.204 . . . . 0.0 110.538 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -132.73 -30.37 1.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.454 1.102 . . . . 0.0 109.408 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.88 -78.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.3 -177.93 50.52 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-N 116.285 -0.416 . . . . 0.0 113.123 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -66.89 -45.98 76.34 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.557 0.743 . . . . 0.0 112.71 -172.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -61.43 -48.63 80.3 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.367 0.667 . . . . 0.0 111.201 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.449 HD23 HG13 ' A' ' 42' ' ' VAL . 2.2 tm? -62.75 -52.08 64.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.357 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 30.9 t -59.46 -33.61 71.51 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.141 0.901 . . . . 0.0 111.751 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.24 -44.73 87.27 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.394 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.5 mtp -70.04 -40.05 75.36 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.87 -51.46 22.21 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.675 1.19 . . . . 0.0 111.903 -172.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.685 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 37.8 t70 -75.93 -34.03 59.87 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.111 0.964 . . . . 0.0 112.827 -175.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.95 -44.63 80.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.857 0.463 . . . . 0.0 110.015 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -55.36 -46.82 76.45 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.663 171.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . 23.7 tp -53.31 -45.67 69.1 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.808 0.843 . . . . 0.0 110.648 175.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.88 -44.28 93.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.414 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -73.54 -33.45 64.72 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.896 0.478 . . . . 0.0 110.285 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.78 -48.86 67.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.659 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.7 -18.33 48.24 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.65 0.78 . . . . 0.0 111.655 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.056 0 C-N-CA 122.859 0.464 . . . . 0.0 109.864 174.777 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -55.71 -38.99 70.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.081 1.352 . . . . 0.0 111.556 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.03 -40.1 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.267 0.627 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -65.07 -48.99 71.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.855 0.862 . . . . 0.0 109.242 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -67.86 -43.58 79.11 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 124.05 0.844 . . . . 0.0 111.04 -173.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 73' ' ' LEU . 95.4 mt -67.7 -30.19 69.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.85 0.46 . . . . 0.0 111.749 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -73.35 -51.24 18.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.645 0.378 . . . . 0.0 111.034 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.86 -37.14 81.46 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.493 0.317 . . . . 0.0 110.504 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -69.71 -36.39 75.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.095 0.558 . . . . 0.0 110.701 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.49 -39.75 95.27 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.408 0.683 . . . . 0.0 110.324 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.64 -42.13 78.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.003 0.921 . . . . 0.0 110.769 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.481 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 24.4 mm-40 -61.94 -46.08 90.88 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 123.196 0.598 . . . . 0.0 109.925 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.92 63.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.364 0.665 . . . . 0.0 111.495 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.96 42.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.005 0.522 . . . . 0.0 111.073 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -77.29 -47.22 20.62 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.384 0.674 . . . . 0.0 111.713 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 31' ' ' GLU . 3.3 mpt_? -77.15 -18.15 58.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.677 1.191 . . . . 0.0 110.461 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.73 43.37 7.79 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.287 0.367 . . . . 0.0 113.233 175.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 132.59 38.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.722 0.809 . . . . 0.0 109.834 172.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -66.42 -20.16 65.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.734 0.814 . . . . 0.0 111.004 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 p -64.16 -8.23 11.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.328 1.051 . . . . 0.0 113.292 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -50.58 -41.2 54.2 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.024 0.529 . . . . 0.0 111.41 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.54 -34.62 70.17 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 7.9 p -75.42 -32.16 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.718 0.69 . . . . 0.0 110.173 179.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -68.04 -37.18 81.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.979 0.512 . . . . 0.0 109.913 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -52.4 34.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.845 1.258 . . . . 0.0 110.876 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 18.2 ptpt -71.07 -35.26 71.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.734 0.413 . . . . 0.0 110.757 -174.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.64 89.1 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 123.174 0.59 . . . . 0.0 110.016 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.8 tp -59.6 -53.44 58.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.325 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -60.08 -43.47 95.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.896 0.878 . . . . 0.0 111.644 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 66.3 m -62.15 -38.61 89.64 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.806 0.691 . . . . 0.0 110.908 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HG ' HD12 ' A' ' 57' ' ' LEU . 4.8 tt -67.15 -42.99 83.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.969 0.908 . . . . 0.0 109.888 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 26.1 mm-40 -60.37 -38.14 82.95 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.193 0.597 . . . . 0.0 111.386 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -92.21 -15.13 27.96 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' SER . 17.3 t80 -72.98 127.53 89.34 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 122.669 0.388 . . . . 0.0 110.056 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.63 31.68 0.48 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 123.168 2.579 . . . . 0.0 114.583 -175.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -144.31 125.15 7.73 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -69.67 103.65 1.18 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.762 2.308 . . . . 0.0 111.485 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.422 HD12 ' HG ' ' A' ' 50' ' ' LEU . 38.8 mt -72.88 99.43 2.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.351 0.596 . . . . 0.0 109.675 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -118.07 15.02 14.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 110.117 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -162.05 147.66 13.15 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.215 1.006 . . . . 0.0 109.253 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.507 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -67.29 -18.14 69.06 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.361 0.413 . . . . 0.0 112.951 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.31 -45.12 80.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.653 0.74 . . . . 0.0 110.288 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -83.77 -23.03 31.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.106 -174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.58 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . . . -86.37 -33.67 20.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.212 0.605 . . . . 0.0 112.026 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -71.22 -24.05 62.13 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.888 0.475 . . . . 0.0 112.134 -174.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 pt -63.86 -17.72 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 122.316 0.246 . . . . 0.0 111.034 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.67 121.4 38.47 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 170.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -82.48 -4.76 58.03 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -68.99 -27.37 65.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -79.35 -72.71 0.38 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 167.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.23 -169.02 49.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.473 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.32 -60.27 3.39 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.992 0.517 . . . . 0.0 111.723 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -57.48 -49.68 75.5 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.028 0.931 . . . . 0.0 111.289 -170.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD11 HD21 ' A' ' 25' ' ' LEU . 1.7 tm? -63.06 -55.67 23.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.85 -176.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 53.9 t -72.79 -29.29 63.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.926 -168.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -68.33 -44.55 75.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.285 0.634 . . . . 0.0 110.424 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtp -67.75 -38.43 83.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.475 0.31 . . . . 0.0 110.519 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -64.7 -35.17 80.17 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.458 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.507 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 33.6 t70 -75.1 -33.96 61.67 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.278 1.031 . . . . 0.0 111.169 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.27 -39.96 86.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.333 0.653 . . . . 0.0 110.617 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.84 -47.12 82.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.332 172.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.04 -37.31 76.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.582 0.753 . . . . 0.0 109.815 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -69.85 -41.51 74.79 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.736 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -31.81 65.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -175.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.99 -52.38 65.25 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.79 172.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 mt -71.82 -35.49 69.95 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.842 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 122.828 0.451 . . . . 0.0 110.889 -174.267 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 119.69 -0.195 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -72.11 -6.05 18.32 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.124 2.55 . . . . 0.0 112.98 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.64 115.94 40.59 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 123.465 0.706 . . . . 0.0 109.146 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -81.09 21.58 0.88 Allowed 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.242 2.628 . . . . 0.0 112.676 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.59 124.73 22.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.2 m 70.1 106.18 0.03 OUTLIER Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.341 1.456 . . . . 0.0 110.172 -168.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -57.05 90.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.385 2.461 0 C-N-CA 122.75 2.3 . . . . 0.0 111.333 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -89.88 116.15 65.65 Favored Pre-proline 0 CA--C 1.544 0.715 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HG2' HD21 ' A' ' 50' ' ' LEU . 79.2 Cg_exo -45.78 159.0 0.24 Allowed 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 124.005 3.137 . . . . 0.0 114.743 176.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.48 -21.06 66.6 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 114.801 -1.09 . . . . 0.0 109.022 170.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 16.9 m-30 -62.67 -34.64 77.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.033 1.333 . . . . 0.0 111.859 172.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -60.42 -54.61 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.037 0.535 . . . . 0.0 110.332 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -62.89 -35.0 78.6 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.701 0.626 . . . . 0.0 111.19 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -65.44 -46.66 79.05 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.141 0.276 . . . . 0.0 111.357 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 73' ' ' LEU . 93.5 mt -66.02 -30.48 71.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.871 0.468 . . . . 0.0 111.237 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.2 m -71.75 -48.94 43.43 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.393 0.677 . . . . 0.0 110.529 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.9 -35.3 67.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.829 0.452 . . . . 0.0 111.367 -174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -69.25 -43.5 73.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.766 0.426 . . . . 0.0 110.442 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' NH1' ' HB2' ' A' ' 44' ' ' GLN . 43.1 ttt85 -66.11 -36.66 83.76 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.074 0.549 . . . . 0.0 111.139 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.16 -48.72 67.16 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.477 0.711 . . . . 0.0 110.215 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -58.92 -40.96 86.15 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.995 172.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -27.22 67.45 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.583 0.753 . . . . 0.0 112.173 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.18 -31.24 58.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.245 0.618 . . . . 0.0 110.479 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -84.64 -34.86 22.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.637 0.775 . . . . 0.0 111.484 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.421 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . 82.5 mtt180 -92.72 -25.1 18.36 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.202 1.001 . . . . 0.0 111.483 -173.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.36 33.4 17.12 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.994 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 35' ' ' ARG . 19.2 mmm180 -77.92 134.17 37.95 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -74.51 -14.73 60.85 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.457 0.703 . . . . 0.0 111.729 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.0 p -73.86 -8.4 55.92 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.713 0.805 . . . . 0.0 112.021 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 -51.82 -36.4 47.81 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.706 1.203 . . . . 0.0 112.259 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -73.57 -40.49 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.343 1.057 . . . . 0.0 111.469 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.443 HG22 HD23 ' A' ' 73' ' ' LEU . 9.4 p -73.99 -32.6 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.636 0.255 . . . . 0.0 110.403 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -69.72 -30.92 68.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 110.271 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.1 tp60 -68.05 -57.91 5.36 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.88 0.472 . . . . 0.0 111.074 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -62.41 -29.12 70.26 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.847 0.459 . . . . 0.0 111.752 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -49.75 50.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.647 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.76 -42.1 99.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.318 0.647 . . . . 0.0 111.279 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 31.7 mmm180 -67.64 -39.16 84.64 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.511 0.725 . . . . 0.0 110.166 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -59.55 -42.99 93.62 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.661 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.46 HD21 ' HG2' ' A' ' 19' ' ' PRO . 2.3 tt -69.71 -38.77 77.06 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.585 0.754 . . . . 0.0 109.906 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -67.31 -29.69 69.33 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.387 0.675 . . . . 0.0 111.647 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -94.22 -11.48 30.2 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.481 0.313 . . . . 0.0 111.432 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -94.39 119.44 66.44 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.164 0.585 . . . . 0.0 109.647 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.96 21.0 0.99 Allowed 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 123.235 2.624 . . . . 0.0 114.233 -173.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.411 HD12 HD23 ' A' ' 57' ' ' LEU . 2.7 tm? -114.86 123.37 32.09 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.38 100.03 1.19 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.386 2.058 . . . . 0.0 111.561 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD23 HD12 ' A' ' 55' ' ' LEU . 54.8 mt -63.15 111.53 2.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.09 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -96.48 -27.11 15.04 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.428 0.691 . . . . 0.0 109.906 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -126.77 156.9 40.47 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.295 1.038 . . . . 0.0 110.315 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.85 -22.02 73.57 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.299 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.11 -40.38 89.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.054 0.941 . . . . 0.0 110.506 172.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.62 -26.8 58.11 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.018 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -18.42 45.42 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.161 0.585 . . . . 0.0 111.287 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -65.18 -37.03 86.08 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.278 1.031 . . . . 0.0 111.446 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 pt -64.55 -25.97 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.254 0.621 . . . . 0.0 111.202 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt -87.72 103.08 15.27 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.214 1.006 . . . . 0.0 109.361 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.54 -19.6 63.7 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.182 0.993 . . . . 0.0 111.373 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.05 -36.66 82.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.621 0.768 . . . . 0.0 110.391 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -68.24 -66.56 0.55 Allowed 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.548 0.739 . . . . 0.0 109.322 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.44 155.42 31.89 Favored Glycine 0 C--N 1.343 0.962 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -171.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -60.61 -34.46 74.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -62.27 -46.11 90.26 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.152 0.581 . . . . 0.0 109.569 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.532 HD11 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -64.65 -49.91 69.16 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.386 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 35.4 m -58.41 -39.76 80.58 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.195 0.998 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.47 -45.97 81.62 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.769 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.0 mmt -61.32 -48.32 81.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.145 0.578 . . . . 0.0 110.744 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.32 -45.4 80.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.093 0.957 . . . . 0.0 112.305 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.58 -37.83 70.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.522 0.514 . . . . 0.0 110.834 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 23.1 mm-40 -62.74 -43.19 99.45 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.164 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -66.17 -42.65 88.65 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 123.144 0.577 . . . . 0.0 110.641 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.5 tm? -56.33 -42.85 78.33 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.39 -48.47 81.62 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.724 -1.126 . . . . 0.0 111.336 174.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 97.6 mt-30 -65.52 -41.5 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.103 0.561 . . . . 0.0 110.968 -174.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.52 -50.77 70.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.93 0.892 . . . . 0.0 110.564 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 58.5 mt -64.72 -32.28 73.89 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.951 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.42 -35.59 60.95 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.66 0.784 . . . . 0.0 112.016 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -102.57 -12.14 17.98 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.306 0.643 . . . . 0.0 112.384 -172.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.54 -58.68 3.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.27 -152.14 23.24 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 119.424 -0.653 . . . . 0.0 112.849 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 124.874 1.27 . . . . 0.0 110.926 -179.113 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.419 HH11 ' HB3' ' A' ' 13' ' ' LEU . 3.9 tmt_? . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.46 122.6 9.08 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.795 2.33 . . . . 0.0 111.049 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' HB3' HH11 ' A' ' 11' ' ' ARG . 1.5 pp -149.77 152.44 34.61 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 123.579 0.752 . . . . 0.0 110.28 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.8 94.55 0.71 Allowed 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.349 2.032 . . . . 0.0 111.589 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -90.17 -20.0 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.805 0.842 . . . . 0.0 110.702 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.5 t 61.95 78.94 0.28 Allowed Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 124.718 1.207 . . . . 0.0 110.901 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -81.0 67.09 8.76 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.2 2.6 . . . . 0.0 111.501 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -128.38 78.68 75.31 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 124.244 1.018 . . . . 0.0 109.465 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.1 126.93 8.13 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.673 2.248 . . . . 0.0 111.214 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.71 -39.75 84.33 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.917 0.887 . . . . 0.0 111.764 -169.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -69.37 -36.51 76.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.496 0.718 . . . . 0.0 111.685 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.75 -52.12 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.732 0.413 . . . . 0.0 110.537 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -59.06 -40.01 83.84 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 123.546 0.528 . . . . 0.0 111.059 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -63.66 -49.32 73.65 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.524 0.515 . . . . 0.0 111.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.51 -28.98 69.58 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.717 0.235 . . . . 0.0 111.386 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 m -69.47 -52.48 26.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.508 0.723 . . . . 0.0 110.866 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.79 -41.41 65.02 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -65.87 -34.62 78.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.116 0.566 . . . . 0.0 110.431 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -61.21 -43.59 98.63 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.503 0.721 . . . . 0.0 110.753 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.86 -30.31 61.3 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.223 1.009 . . . . 0.0 111.264 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.37 -36.29 58.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.161 0.984 . . . . 0.0 109.393 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -75.46 -22.09 57.58 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.615 0.766 . . . . 0.0 110.872 175.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.34 64.1 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 170.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t -69.86 -32.79 71.36 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.137 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.588 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -92.97 -5.11 51.43 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 0.0 110.817 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.15 28.89 74.03 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 113.907 0.323 . . . . 0.0 113.907 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.588 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 30.3 mmm180 -78.01 150.67 33.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.173 0.989 . . . . 0.0 111.723 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -71.05 -19.93 62.43 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 p -71.07 -13.1 61.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.141 0.576 . . . . 0.0 112.498 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -54.32 -40.43 67.97 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.033 0.379 . . . . 0.0 110.63 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -63.44 -45.7 89.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.876 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.482 HG13 HD23 ' A' ' 73' ' ' LEU . 9.7 p -73.79 -32.11 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.075 0.15 . . . . 0.0 111.075 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -71.09 -32.46 69.1 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.933 0.493 . . . . 0.0 110.293 173.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.22 -55.0 13.83 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.644 0.778 . . . . 0.0 110.481 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.69 -32.11 71.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.009 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -45.51 80.92 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.194 0.598 . . . . 0.0 110.362 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 62.6 tp -60.34 -53.92 51.81 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.082 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.78 -30.45 69.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 111.127 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t -68.19 -38.1 81.64 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.131 175.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.4 tt -67.77 -39.31 84.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.497 0.719 . . . . 0.0 109.238 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 29.3 mm-40 -61.37 -42.8 99.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.524 0.73 . . . . 0.0 111.349 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -81.95 -22.6 36.6 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.639 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.3 t80 -72.48 128.03 89.19 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.503 0.721 . . . . 0.0 110.526 -171.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -72.41 -15.13 28.06 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.638 2.225 . . . . 0.0 113.292 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 24.0 tp -92.98 132.52 30.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 123.253 0.621 . . . . 0.0 109.345 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.22 99.78 1.2 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.364 2.042 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD12 ' HG ' ' A' ' 50' ' ' LEU . 92.4 mt -66.6 93.03 0.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.077 -175.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.63 -42.81 40.84 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.826 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.0 m -120.79 155.64 33.58 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.397 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -68.88 -18.56 72.64 Favored Glycine 0 C--N 1.346 1.084 0 O-C-N 123.349 0.406 . . . . 0.0 112.367 172.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.04 -43.8 74.08 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.14 0.976 . . . . 0.0 110.252 165.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -78.62 -29.97 46.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.923 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -80.67 -23.54 39.55 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.337 0.655 . . . . 0.0 112.581 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 38.6 ttpt -70.88 -22.34 62.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.24 0.616 . . . . 0.0 112.022 -173.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -66.57 -20.06 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 122.939 0.495 . . . . 0.0 111.421 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.16 131.52 37.34 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.289 0.635 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -78.83 -20.09 50.49 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.672 0.789 . . . . 0.0 111.332 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.64 -35.28 79.1 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.239 0.542 . . . . 0.0 110.065 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 15.8 m-85 -75.54 -76.53 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.5 174.55 40.17 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.385 -172.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.92 -57.4 12.79 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.928 0.891 . . . . 0.0 112.728 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -71.95 -28.92 63.77 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.593 0.757 . . . . 0.0 112.479 -172.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD23 HG13 ' A' ' 42' ' ' VAL . 2.0 tm? -62.29 -53.39 55.82 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 82.5 m -68.11 -25.19 65.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.484 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.0 mmm180 -60.35 -51.06 71.11 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.654 0.382 . . . . 0.0 110.264 169.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.42 -43.04 86.82 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.506 0.67 . . . . 0.0 109.991 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.68 -50.53 64.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.315 1.446 . . . . 0.0 111.796 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.723 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 26.1 t70 -74.93 -42.5 57.61 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.152 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.1 mm-40 -59.68 -41.0 89.69 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -56.98 -52.06 66.73 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.034 0.534 . . . . 0.0 111.15 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -54.91 -41.34 70.83 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.361 0.665 . . . . 0.0 111.413 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -67.26 -38.65 85.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.619 1.167 . . . . 0.0 110.247 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 48.7 mt-30 -73.85 -34.96 64.73 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.454 0.702 . . . . 0.0 109.76 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 89' ' ' GLY . 75.5 t60 -65.19 -42.61 93.42 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.125 0.97 . . . . 0.0 110.452 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -78.35 -44.95 23.78 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.22 0.608 . . . . 0.0 111.446 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.29 71.92 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.085 0.554 . . . . 0.0 111.374 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.9 t -76.54 -28.67 56.4 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.528 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.55 33.01 39.96 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 84' ' ' HIS . . . 174.2 -178.84 45.89 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 115.147 -0.527 . . . . 0.0 112.085 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--O 1.253 1.281 0 CA-C-O 118.304 -0.855 . . . . 0.0 108.872 -174.672 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -80.96 144.14 14.87 Favored 'Trans proline' 0 C--N 1.369 1.632 0 C-N-CA 122.293 1.996 . . . . 0.0 111.41 166.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.19 104.61 23.76 Favored Pre-proline 0 N--CA 1.48 1.069 0 C-N-CA 123.648 0.779 . . . . 0.0 109.529 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD2' ' SG ' ' A' ' 16' ' ' CYS . 6.3 Cg_exo -80.8 -161.33 0.15 Allowed 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 123.507 2.805 . . . . 0.0 111.744 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.38 10.27 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 123.414 0.686 . . . . 0.0 109.99 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 29.5 p -63.22 144.2 97.49 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 123.83 0.852 . . . . 0.0 111.906 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -75.78 -177.13 3.39 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.769 2.312 . . . . 0.0 111.29 173.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -127.57 77.1 76.41 Favored Pre-proline 0 N--CA 1.48 1.069 0 C-N-CA 122.681 0.392 . . . . 0.0 110.046 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -87.15 -6.38 7.35 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 123.082 2.521 . . . . 0.0 112.648 170.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mp 66.1 12.02 8.21 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.496 1.118 . . . . 0.0 113.004 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.472 0.578 . . . . 0.0 111.348 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.1 -49.88 80.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.1 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -73.94 -32.51 63.53 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.865 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 25.0 m0 -67.58 -43.8 79.68 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.684 0.615 . . . . 0.0 110.463 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.18 -30.56 71.48 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.421 0.288 . . . . 0.0 111.454 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.9 m -75.45 -47.32 27.77 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.77 0.428 . . . . 0.0 111.278 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.5 pt-20 -73.67 -31.31 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.042 0.537 . . . . 0.0 111.144 -174.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -79.22 -29.79 42.93 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.813 0.445 . . . . 0.0 110.525 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.86 -40.99 90.47 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.024 0.53 . . . . 0.0 109.806 166.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.51 -40.01 81.01 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.064 0.945 . . . . 0.0 110.398 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mm-40 -60.94 -37.81 83.63 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.263 1.025 . . . . 0.0 110.984 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -71.13 -36.63 72.17 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.444 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.35 61.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.366 0.667 . . . . 0.0 111.393 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -84.54 -42.8 15.13 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.889 0.876 . . . . 0.0 110.817 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -105.1 7.49 33.86 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.477 0.711 . . . . 0.0 112.463 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.53 30.13 75.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 123.539 0.524 . . . . 0.0 113.222 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.576 ' NH1' ' HB3' ' A' ' 31' ' ' GLU . 58.7 mtt180 -72.92 134.84 44.94 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.335 0.654 . . . . 0.0 110.324 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -64.19 -20.38 65.98 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.952 0.901 . . . . 0.0 111.273 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.9 p -64.17 -5.02 4.15 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.722 1.209 . . . . 0.0 113.444 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -49.93 -45.13 50.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.948 0.899 . . . . 0.0 111.391 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -72.11 -39.43 68.89 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.656 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.39 -31.47 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 117.597 0.181 . . . . 0.0 110.741 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.26 -31.2 62.46 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.541 0.336 . . . . 0.0 110.379 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -69.87 -49.79 48.81 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.477 0.485 . . . . 0.0 110.67 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.07 -30.47 68.8 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.228 0.33 . . . . 0.0 110.839 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.35 -45.21 60.87 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.254 0.621 . . . . 0.0 110.457 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 tp -63.78 -56.96 11.6 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.137 0.575 . . . . 0.0 110.175 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.54 -38.14 77.16 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.168 0.987 . . . . 0.0 111.224 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.1 t -59.04 -49.14 79.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.83 -35.64 80.59 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.349 1.059 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 11.7 mm100 -67.77 -34.69 77.31 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.241 0.616 . . . . 0.0 111.932 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -94.21 -14.44 25.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.365 0.266 . . . . 0.0 111.299 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.6 t80 -77.31 119.72 78.6 Favored Pre-proline 0 N--CA 1.476 0.843 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -173.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.36 -2.3 12.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 122.941 2.428 . . . . 0.0 113.384 -172.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.17 142.81 33.9 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.37 -37.3 24.07 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 123.008 2.472 . . . . 0.0 113.052 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.1 mt 54.97 70.4 0.63 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.652 1.181 . . . . 0.0 110.597 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -84.94 -33.39 22.68 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.174 0.511 . . . . 0.0 110.772 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -103.41 152.24 21.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.62 -23.11 72.07 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -63.07 -37.82 88.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.523 1.129 . . . . 0.0 110.434 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' ILE . 49.5 mt-10 -72.75 -39.07 67.13 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.135 0.574 . . . . 0.0 110.673 175.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.74 -14.99 63.38 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.486 0.714 . . . . 0.0 111.702 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -69.33 -29.94 67.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.185 0.994 . . . . 0.0 112.059 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.0 pt -70.17 -8.53 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.72 114.36 28.54 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 123.184 0.594 . . . . 0.0 109.831 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -72.44 -17.5 61.78 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.822 0.849 . . . . 0.0 110.727 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -59.36 -33.05 70.69 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.478 0.711 . . . . 0.0 111.463 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.43 -70.8 0.3 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 172.02 18.29 Favored Glycine 0 N--CA 1.467 0.711 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.202 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.57 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 21.0 t70 -62.23 -60.76 3.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.921 0.488 . . . . 0.0 111.823 -175.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 76' ' ' MET . 96.4 mtt180 -65.39 -33.27 75.56 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.835 0.854 . . . . 0.0 111.228 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.403 HD13 HD13 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -63.13 -49.91 72.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.142 0.977 . . . . 0.0 109.607 179.468 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 76.2 m -61.39 -32.19 72.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -68.62 -40.81 80.18 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.757 0.661 . . . . 0.0 110.762 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 87.8 mtp -58.96 -48.21 82.33 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.702 0.401 . . . . 0.0 110.393 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 HD13 ' A' ' 73' ' ' LEU . 10.1 mp -68.36 -38.33 81.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.591 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.04 -49.89 58.64 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.224 0.61 . . . . 0.0 111.143 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.59 -50.83 69.72 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 124.086 0.867 . . . . 0.0 110.252 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -55.82 -45.54 78.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.182 0.593 . . . . 0.0 111.392 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.9 tm? -56.84 -49.0 76.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.549 0.74 . . . . 0.0 109.741 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.21 -41.28 92.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.43 1.092 . . . . 0.0 111.543 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -75.89 -29.18 58.37 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.648 0.779 . . . . 0.0 110.217 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.42 -33.96 67.5 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.996 0.918 . . . . 0.0 110.352 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 86.6 mt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.059 0.544 . . . . 0.0 110.085 176.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.42 42.89 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.348 0.659 . . . . 0.0 111.357 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -87.23 -28.4 22.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.698 0.799 . . . . 0.0 111.334 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.17 -56.5 2.84 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-N 116.597 -0.274 . . . . 0.0 112.79 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.09 -65.2 2.24 Favored Glycine 0 C--N 1.343 0.942 0 O-C-N 123.711 0.3 . . . . 0.0 113.449 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.482 1.172 0 C-N-CA 123.378 0.671 . . . . 0.0 109.949 -177.789 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.84 138.98 55.29 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 122.137 1.891 . . . . 0.0 110.907 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.68 123.58 79.88 Favored Pre-proline 0 CA--C 1.55 0.96 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -67.67 79.97 0.48 Allowed 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.654 2.236 . . . . 0.0 111.774 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 p -132.87 77.15 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 122.915 1.341 . . . . 0.0 107.983 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -146.4 152.43 46.05 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.079 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -73.51 6.63 2.63 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 122.639 2.226 . . . . 0.0 112.861 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 58.65 79.16 0.32 Allowed Pre-proline 0 C--N 1.362 1.135 0 C-N-CA 125.253 1.421 . . . . 0.0 110.504 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 52.1 Cg_exo -53.02 136.39 60.84 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 122.487 2.125 . . . . 0.0 110.613 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.6 mt -56.92 -25.83 58.14 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 123.314 0.384 . . . . 0.0 111.784 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.66 -24.3 58.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 19' ' ' PRO . 7.1 m -68.2 -42.3 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.777 0.717 . . . . 0.0 110.071 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -75.67 -34.6 60.47 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.045 0.538 . . . . 0.0 110.398 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -71.45 -42.88 67.63 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.683 0.614 . . . . 0.0 111.497 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD21 HD11 ' A' ' 77' ' ' LEU . 79.4 mt -68.27 -34.79 76.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 117.862 0.301 . . . . 0.0 110.809 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.5 m -63.07 -49.66 73.64 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.444 0.465 . . . . 0.0 111.196 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 13.0 pt-20 -69.34 -47.45 64.33 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.839 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -62.59 -36.74 83.68 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.963 0.505 . . . . 0.0 111.004 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -56.14 -56.21 23.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.889 0.743 . . . . 0.0 110.617 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -74.95 -28.69 60.69 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.468 -171.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 35.4 mm-40 -68.88 -49.71 55.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.339 0.656 . . . . 0.0 109.316 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.585 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -66.3 -28.75 68.93 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.398 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.72 72.79 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.582 0.753 . . . . 0.0 110.282 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -76.22 -18.51 59.01 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.269 0.628 . . . . 0.0 110.808 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -86.6 -24.66 25.3 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.429 0.692 . . . . 0.0 110.601 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.77 65.15 1.63 Allowed Glycine 0 C--N 1.353 1.475 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.585 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 15.7 mtp180 -130.94 139.79 50.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.034 0.934 . . . . 0.0 110.205 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -71.46 -20.03 62.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.074 0.549 . . . . 0.0 111.447 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 42' ' ' VAL . 17.4 p -68.0 -17.17 64.34 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.11 0.564 . . . . 0.0 112.401 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -61.47 -29.65 70.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.134 0.425 . . . . 0.0 109.99 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -72.68 -41.55 65.23 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.313 1.008 . . . . 0.0 110.923 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 39' ' ' THR . 5.8 p -71.63 -35.09 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 117.884 0.311 . . . . 0.0 110.475 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -73.07 -30.52 63.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.276 0.63 . . . . 0.0 110.243 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 43.6 tt0 -71.52 -53.13 14.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.696 0.798 . . . . 0.0 111.304 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.68 -36.95 85.12 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.503 0.502 . . . . 0.0 110.975 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.15 96.25 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.824 0.703 . . . . 0.0 109.745 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 65.6 tp -59.31 -50.47 73.88 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.805 . . . . 0.0 111.001 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 40.3 mmm-85 -65.12 -37.09 86.35 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.82 0.448 . . . . 0.0 110.687 -175.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 13.2 t -67.36 -34.88 78.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.162 177.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.14 -38.19 66.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.204 1.002 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 9.7 mm100 -75.9 -27.08 57.53 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.103 0.561 . . . . 0.0 111.634 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -86.8 -20.44 27.57 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.3 t80 -76.83 120.43 81.66 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.19 30.14 0.47 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 123.229 2.619 . . . . 0.0 113.305 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -130.01 113.94 17.47 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.4 97.17 0.25 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.117 2.544 . . . . 0.0 112.222 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD23 HD12 ' A' ' 55' ' ' LEU . 68.5 mt -74.91 100.91 4.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.738 0.815 . . . . 0.0 109.569 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -82.74 -22.33 34.44 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.001 0.92 . . . . 0.0 110.681 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.501 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.5 t -112.34 132.74 54.83 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.805 0.842 . . . . 0.0 109.35 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.62 -21.68 74.81 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.535 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.39 -39.93 81.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.611 1.165 . . . . 0.0 110.38 171.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 24.1 mm-40 -74.68 -19.88 60.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.489 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -80.57 -21.53 41.59 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.601 0.76 . . . . 0.0 111.455 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 38.2 ttpt -69.37 -24.12 63.84 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.618 0.767 . . . . 0.0 112.102 -175.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.1 pt -64.85 -21.3 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.347 . . . . 0.0 111.435 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mp -93.39 119.36 32.41 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.81 -15.15 63.39 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.76 0.824 . . . . 0.0 111.716 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -67.19 -23.66 65.78 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.713 0.805 . . . . 0.0 111.508 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -87.09 -74.09 0.45 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 167.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.55 178.06 35.43 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.328 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.61 -50.26 59.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.63 0.772 . . . . 0.0 112.424 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -63.93 -43.74 94.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.607 0.763 . . . . 0.0 110.897 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 77' ' ' LEU . 1.4 tm? -61.24 -49.05 78.68 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.155 0.909 . . . . 0.0 109.027 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 9.3 t -54.89 -41.85 71.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.425 1.09 . . . . 0.0 111.699 178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -71.06 -35.1 71.79 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.828 0.705 . . . . 0.0 111.045 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.7 mmm -60.74 -47.75 84.91 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.485 0.314 . . . . 0.0 110.298 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 73' ' ' LEU . 8.0 mp -66.1 -34.45 78.08 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.973 0.909 . . . . 0.0 111.266 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.48 -48.38 70.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.872 0.869 . . . . 0.0 110.388 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.7 mm-40 -59.38 -49.52 77.48 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.236 1.014 . . . . 0.0 110.703 177.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -61.71 -45.07 95.53 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.739 0.816 . . . . 0.0 112.072 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.73 -41.3 95.04 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -68.09 -34.1 75.77 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.031 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 55.9 mt-30 -70.13 -39.71 75.26 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -62.82 -45.91 90.43 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.178 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -77.65 -56.95 4.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.204 0.202 . . . . 0.0 111.506 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.87 62.28 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.089 0.556 . . . . 0.0 112.06 -175.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 m -77.9 -26.13 48.93 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 119.521 -0.276 . . . . 0.0 111.371 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.43 -19.8 19.17 Favored Glycine 0 C--N 1.357 1.734 0 CA-C-N 117.73 0.241 . . . . 0.0 112.886 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.44 -95.82 0.62 Allowed Glycine 0 C--N 1.346 1.138 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.247 0.964 0 C-N-CA 124.075 0.95 . . . . 0.0 108.569 178.072 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 mtp-105 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.05 106.1 1.73 Allowed 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 122.468 2.112 . . . . 0.0 112.693 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -85.57 115.79 62.95 Favored Pre-proline 0 CA--C 1.554 1.107 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.07 103.93 0.22 Allowed 'Trans proline' 0 C--N 1.38 2.228 0 C-N-CA 122.959 2.439 . . . . 0.0 112.769 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.97 -26.85 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 124.319 1.048 . . . . 0.0 110.532 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.8 t -133.52 83.43 48.89 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -82.53 67.96 7.81 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.264 2.643 . . . . 0.0 112.21 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.491 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 41.7 t30 -57.6 -46.35 99.77 Favored Pre-proline 0 CA--C 1.558 1.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.371 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 18' ' ' ASN . 3.3 Cg_exo -84.55 103.98 0.94 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.033 1.822 . . . . 0.0 109.291 159.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.35 -20.78 65.81 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.602 0.761 . . . . 0.0 111.722 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.497 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 36.7 m-85 -63.02 -31.81 73.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.723 1.209 . . . . 0.0 110.394 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 19' ' ' PRO . 82.2 t -66.68 -51.92 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.361 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -64.49 -34.18 77.62 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.527 -0.273 . . . . 0.0 111.19 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.78 -46.54 71.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.949 0.5 . . . . 0.0 110.679 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 73' ' ' LEU . 80.8 mt -69.45 -30.98 69.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -71.54 -46.48 59.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.792 0.437 . . . . 0.0 110.403 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.74 -36.58 67.76 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.671 0.388 . . . . 0.0 111.292 -174.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -65.17 -45.82 83.37 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.658 0.383 . . . . 0.0 110.119 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -59.05 -39.51 82.24 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.104 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.65 -42.54 61.24 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.571 0.748 . . . . 0.0 111.273 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.5 -43.51 89.9 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.014 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.83 -31.31 72.2 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.095 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.526 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -67.77 -39.51 84.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.28 0.632 . . . . 0.0 110.701 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -82.53 -24.3 34.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.151 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -99.64 -11.62 20.77 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.182 0.593 . . . . 0.0 111.473 -174.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.88 16.04 60.3 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -83.77 126.1 32.58 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.613 1.165 . . . . 0.0 109.947 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -62.03 -20.23 63.72 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.806 1.243 . . . . 0.0 113.619 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -66.7 -15.51 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.526 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 27.9 ptt180 -54.86 -31.6 59.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.117 0.567 . . . . 0.0 111.761 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -70.2 -43.46 70.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.487 0.715 . . . . 0.0 111.145 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.13 -36.72 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.46 -29.77 68.48 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.392 0.677 . . . . 0.0 110.623 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.39 -53.9 12.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.417 0.687 . . . . 0.0 110.874 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -67.17 -29.32 68.98 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.429 0.456 . . . . 0.0 110.959 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.31 75.0 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.708 0.803 . . . . 0.0 110.313 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.95 -41.96 99.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.073 0.949 . . . . 0.0 111.015 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -65.13 -47.35 77.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.669 0.788 . . . . 0.0 110.033 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 77.4 p -67.44 -30.77 70.59 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.215 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.78 -48.37 63.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.44 0.696 . . . . 0.0 109.671 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.6 -43.08 97.84 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.77 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.58 -24.04 49.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.1 t80 -71.81 122.48 87.37 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 122.867 0.467 . . . . 0.0 110.358 -174.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' TYR . 53.2 Cg_endo -91.15 19.15 1.15 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.568 2.845 . . . . 0.0 113.675 -170.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -100.14 154.32 37.28 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 123.23 0.612 . . . . 0.0 109.789 172.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -49.74 -50.58 12.8 Favored 'Trans proline' 0 C--N 1.389 2.685 0 C-N-CA 123.863 3.042 . . . . 0.0 114.44 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt 59.5 27.85 17.1 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.025 0.93 . . . . 0.0 111.472 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -77.75 -2.54 36.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.934 0.894 . . . . 0.0 111.85 -174.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -124.36 146.04 49.08 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.162 0.985 . . . . 0.0 108.555 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -69.44 -18.45 73.55 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 112.323 -0.311 . . . . 0.0 112.323 175.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -63.98 -33.09 74.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 111.177 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 65' ' ' ILE . 44.7 mt-10 -72.9 -17.82 61.47 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.311 0.645 . . . . 0.0 111.537 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.27 -17.36 60.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.454 0.702 . . . . 0.0 111.415 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 58.2 tptt -62.48 -41.56 98.87 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.469 1.108 . . . . 0.0 112.249 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 62' ' ' GLU . 32.5 pt -63.74 -23.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.856 0.462 . . . . 0.0 111.69 -174.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.32 110.32 21.61 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -69.39 -17.08 63.63 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.525 0.73 . . . . 0.0 111.104 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -55.72 -30.46 61.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.214 1.006 . . . . 0.0 111.357 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -79.38 -57.86 3.49 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 172.686 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.46 172.52 38.21 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.027 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.77 -52.1 66.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.483 0.713 . . . . 0.0 112.05 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.72 -46.73 81.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.303 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 25' ' ' LEU . 6.6 tt -68.64 -42.27 78.22 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 37.5 t -58.44 -35.29 71.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.825 0.45 . . . . 0.0 110.342 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -70.23 -41.68 73.27 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.762 0.664 . . . . 0.0 110.631 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.412 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 83.7 mmm -60.34 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.754 0.788 . . . . 0.0 109.554 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' HD2' ' A' ' 21' ' ' PHE . 10.5 tp -73.76 -32.97 64.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 113.793 -1.549 . . . . 0.0 110.757 -173.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 37.1 t70 -70.07 -39.4 75.64 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.57 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.0 mt-10 -65.59 -44.68 85.88 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.583 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 76' ' ' MET . 31.3 mmmt -61.85 -46.71 88.26 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.432 0.457 . . . . 0.0 111.042 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.29 -41.95 90.16 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.16 -36.6 84.58 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.299 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.6 mt-30 -70.24 -35.83 74.1 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.721 0.408 . . . . 0.0 110.138 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.59 -36.48 82.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.727 0.411 . . . . 0.0 111.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.47 -33.77 60.85 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.73 0.412 . . . . 0.0 110.462 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.92 68.59 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.16 0.984 . . . . 0.0 110.691 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.4 m -96.32 -26.25 15.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.586 0.754 . . . . 0.0 111.756 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.41 -77.09 1.76 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 -170.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.24 93.73 0.13 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 CA--C 1.555 1.137 0 C-N-CA 123.587 0.755 . . . . 0.0 110.575 178.356 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -59.24 141.06 97.38 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 122.513 2.142 . . . . 0.0 112.054 169.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.53 HD12 ' HD2' ' A' ' 14' ' ' PRO . 61.0 tp -57.15 118.79 26.47 Favored Pre-proline 0 N--CA 1.479 0.998 0 C-N-CA 124.082 0.953 . . . . 0.0 109.384 177.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.53 ' HD2' HD12 ' A' ' 13' ' ' LEU . 46.5 Cg_endo -65.12 85.18 0.19 Allowed 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.963 2.442 . . . . 0.0 113.175 -174.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.73 -44.7 12.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 170.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -134.49 125.28 17.57 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.014 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -77.48 5.23 5.31 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.852 2.368 . . . . 0.0 114.527 -170.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 72.14 165.59 0.13 Allowed Pre-proline 0 N--CA 1.493 1.715 0 C-N-CA 124.618 1.167 . . . . 0.0 111.632 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HB2' ' HD2' ' A' ' 21' ' ' PHE . 56.9 Cg_endo -69.27 -20.34 37.28 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 122.127 1.885 . . . . 0.0 112.35 169.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 mp 74.18 -33.32 0.25 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.037 1.735 . . . . 0.0 112.473 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.493 ' HD2' ' HB2' ' A' ' 19' ' ' PRO . 95.7 m-85 -52.67 -36.18 56.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.207 1.003 . . . . 0.0 112.444 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.21 -43.88 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 O-C-N 123.517 0.511 . . . . 0.0 111.441 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.17 -30.47 62.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.59 -47.18 70.46 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.17 0.988 . . . . 0.0 110.891 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 59.0 mt -65.24 -30.28 71.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.8 0.44 . . . . 0.0 111.246 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 m -71.95 -52.76 15.6 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.413 0.446 . . . . 0.0 110.699 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.29 -44.87 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.673 0.608 . . . . 0.0 110.782 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.464 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 36.0 m0 -73.91 -29.14 61.89 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.364 0.666 . . . . 0.0 111.776 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -58.45 -50.15 74.74 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -73.24 -32.73 64.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.458 0.703 . . . . 0.0 110.863 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -66.56 -37.99 86.13 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.37 0.668 . . . . 0.0 110.155 173.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -68.62 -34.41 75.71 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.68 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 40' ' ' ARG . . . -63.88 -52.21 61.01 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.666 0.604 . . . . 0.0 111.575 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -81.19 -44.75 17.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.55 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.93 67.51 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.716 0.407 . . . . 0.0 110.637 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.26 13.1 34.22 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 113.881 0.312 . . . . 0.0 113.881 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 30.4 mmt180 -67.87 132.39 47.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.944 0.498 . . . . 0.0 109.955 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -74.12 -4.26 34.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.778 0.831 . . . . 0.0 111.521 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -74.72 -0.6 18.62 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.187 0.995 . . . . 0.0 112.247 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.529 ' HD3' ' HB2' ' A' ' 33' ' ' ALA . 19.1 tpt180 -51.13 -41.91 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.994 0.918 . . . . 0.0 110.64 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -74.23 -42.26 60.01 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.486 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -75.1 -35.53 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 O-C-N 123.127 0.267 . . . . 0.0 110.743 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.39 -33.61 74.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.956 0.503 . . . . 0.0 110.358 174.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -66.19 -51.03 61.68 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.349 0.66 . . . . 0.0 111.1 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -74.44 -30.59 61.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.051 0.54 . . . . 0.0 111.546 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.07 68.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.207 0.603 . . . . 0.0 110.012 175.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 60.7 tp -60.95 -45.78 93.35 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.773 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -62.03 -42.12 98.83 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.728 0.643 . . . . 0.0 110.364 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 21.9 t -62.44 -39.65 94.03 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.507 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 tp -73.56 -36.84 65.68 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.803 0.841 . . . . 0.0 111.627 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -66.98 -35.43 79.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.448 0.699 . . . . 0.0 111.347 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.5 -22.73 24.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.357 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.2 t80 -74.89 116.44 53.94 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 122.619 0.368 . . . . 0.0 110.073 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -33.07 85.04 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 123.409 2.739 . . . . 0.0 113.949 -172.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.9 125.08 88.64 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 122.655 0.382 . . . . 0.0 110.339 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -72.86 90.7 0.83 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.926 2.418 . . . . 0.0 110.693 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' ' 63' ' ' ALA . 47.3 mt -70.4 95.52 1.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.926 0.891 . . . . 0.0 110.036 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -101.43 32.66 3.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.033 0.933 . . . . 0.0 110.673 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.507 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.1 t -158.67 146.49 18.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.215 1.406 . . . . 0.0 107.776 168.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -73.94 -22.97 77.38 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.42 -43.64 75.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.387 1.075 . . . . 0.0 110.352 165.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 43.3 mt-10 -72.98 -39.09 66.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.824 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.615 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -69.41 -17.08 63.62 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.366 0.666 . . . . 0.0 112.109 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.55 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 36.3 ttpt -76.12 -14.54 60.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.529 0.732 . . . . 0.0 112.252 -176.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.8 pt -67.56 -25.83 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-O 120.692 0.282 . . . . 0.0 110.688 176.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.8 114.81 24.77 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 109.015 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -73.45 -8.46 55.98 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.276 0.63 . . . . 0.0 112.594 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -64.35 -29.04 70.12 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.086 0.554 . . . . 0.0 111.082 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.26 -80.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.179 0.991 . . . . 0.0 109.425 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.89 13.63 Favored Glycine 0 C--N 1.343 0.933 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.0 -54.01 47.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.927 0.891 . . . . 0.0 111.227 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.23 -34.02 72.35 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.441 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 77' ' ' LEU . 1.3 tm? -62.37 -53.08 60.19 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 0.0 109.248 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 86.4 m -68.38 -26.75 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.825 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -64.17 -51.29 64.51 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.772 0.429 . . . . 0.0 110.217 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.3 mtp -61.03 -50.57 72.82 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.843 0.715 . . . . 0.0 110.349 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 73' ' ' LEU . 9.3 mp -55.83 -50.47 70.44 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.658 0.783 . . . . 0.0 112.695 176.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.465 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 24.8 t70 -65.36 -40.66 93.84 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.893 0.477 . . . . 0.0 110.508 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 40.1 mm-40 -59.06 -47.26 85.89 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 124.101 0.875 . . . . 0.0 110.704 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 29.1 mmmt -56.04 -48.14 76.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.254 0.622 . . . . 0.0 111.507 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.81 -47.28 87.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.613 0.571 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -62.06 -28.56 69.69 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.184 . . . . 0.0 111.559 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt-30 -75.62 -37.55 59.67 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.306 0.643 . . . . 0.0 109.671 175.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.616 0.766 . . . . 0.0 110.524 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.59 -29.29 27.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.73 0.812 . . . . 0.0 111.107 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.61 44.62 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.914 0.486 . . . . 0.0 110.657 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.1 t -84.07 -42.57 15.98 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.297 0.639 . . . . 0.0 109.96 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.46 -62.9 1.75 Allowed Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.772 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.75 -152.36 20.27 Favored Glycine 0 C--N 1.341 0.847 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.27 164.04 36.5 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 121.985 1.79 . . . . 0.0 110.385 163.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp 67.13 102.59 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 124.137 0.975 . . . . 0.0 109.494 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.98 30.77 0.52 Allowed 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 123.164 2.576 . . . . 0.0 113.07 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -68.22 171.14 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 124.623 1.169 . . . . 0.0 112.214 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.1 p -63.87 133.52 95.6 Favored Pre-proline 0 CA--C 1.557 1.249 0 C-N-CA 123.811 0.844 . . . . 0.0 112.055 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.663 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 36.4 Cg_endo -87.35 58.0 3.31 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.293 2.662 . . . . 0.0 111.656 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 39.2 t-20 -59.87 -41.94 88.13 Favored Pre-proline 0 CA--C 1.576 1.943 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.616 -177.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 18' ' ' ASN . 18.7 Cg_endo -56.27 111.19 0.71 Allowed 'Trans proline' 0 C--N 1.408 3.663 0 C-N-CA 122.343 2.029 . . . . 0.0 111.238 171.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.98 -45.98 89.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.773 1.229 . . . . 0.0 113.424 -166.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.415 ' HD2' HD23 ' A' ' 77' ' ' LEU . 82.7 m-85 -66.78 -33.76 76.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.934 0.397 . . . . 0.0 111.407 -175.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.39 -55.72 17.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.093 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.663 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 11.0 ptm180 -65.52 -34.73 78.94 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.022 -176.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m0 -68.76 -39.23 80.38 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 73' ' ' LEU . 64.9 mt -68.63 -30.96 69.79 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 174.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 m -71.4 -51.14 25.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.849 0.459 . . . . 0.0 110.796 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.24 -32.46 64.74 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.79 0.836 . . . . 0.0 111.312 -173.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 46.3 m0 -75.99 -30.49 58.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.685 0.394 . . . . 0.0 110.424 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -66.2 -37.29 85.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.237 0.615 . . . . 0.0 109.669 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.06 -41.59 77.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.289 1.035 . . . . 0.0 110.24 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.22 -32.9 72.47 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.975 0.91 . . . . 0.0 110.917 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.69 -22.15 43.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.93 0.492 . . . . 0.0 110.822 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.5 57.65 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.234 0.613 . . . . 0.0 110.148 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -80.18 -58.34 3.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 111.614 -171.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -33.48 73.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.991 0.917 . . . . 0.0 110.59 177.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.92 34.22 6.3 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.723 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -85.82 127.56 34.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -70.82 -10.28 59.23 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.796 . . . . 0.0 111.825 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 p -73.39 -3.42 27.19 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.987 0.915 . . . . 0.0 112.641 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -54.77 -35.23 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.405 0.682 . . . . 0.0 111.558 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.39 -50.11 74.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.01 -37.02 59.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 122.355 0.262 . . . . 0.0 110.594 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.15 -35.02 78.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.27 0.628 . . . . 0.0 111.131 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.82 -55.26 7.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.47 0.708 . . . . 0.0 110.508 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.64 -30.0 70.65 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.471 0.482 . . . . 0.0 111.393 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.43 60.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.472 0.709 . . . . 0.0 110.55 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 51.8 tp -57.72 -52.67 64.51 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.635 0.774 . . . . 0.0 110.712 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 9.9 mmm180 -63.58 -37.25 86.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.117 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -64.41 -40.87 96.61 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.238 0.615 . . . . 0.0 110.293 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.636 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.8 tt -67.03 -36.93 83.18 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.8 0.84 . . . . 0.0 109.798 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 14.0 mm100 -65.9 -34.42 78.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.562 0.745 . . . . 0.0 111.597 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 22.1 ptt85 -100.6 -3.07 31.22 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.971 0.508 . . . . 0.0 112.35 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 55' ' ' LEU . 42.5 t80 -86.01 119.04 71.49 Favored Pre-proline 0 N--CA 1.48 1.068 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.7 -24.67 47.4 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.264 2.642 . . . . 0.0 114.356 -170.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 6.6 mp -82.88 131.43 54.3 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -70.65 110.67 2.79 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.809 2.339 . . . . 0.0 109.537 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.636 HD12 ' HG ' ' A' ' 50' ' ' LEU . 93.4 mt -81.79 61.85 5.34 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.866 0.866 . . . . 0.0 111.508 -174.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -93.17 83.41 4.65 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.786 0.835 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 t -173.08 -52.74 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.864 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.35 -44.52 1.53 Allowed Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.205 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.59 -47.17 86.63 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.026 0.931 . . . . 0.0 110.631 171.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.84 -16.16 64.1 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.531 0.733 . . . . 0.0 112.461 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.76 -22.67 58.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.2 0.6 . . . . 0.0 111.601 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.739 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.0 ttpt -71.5 -28.21 63.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.821 . . . . 0.0 112.701 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.6 pt -64.73 -24.43 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 122.575 0.35 . . . . 0.0 111.339 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -89.21 116.6 27.57 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.66 -21.84 66.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.156 0.582 . . . . 0.0 112.055 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -55.01 -35.16 64.11 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.458 0.703 . . . . 0.0 111.519 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -79.11 -58.79 3.06 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.271 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 149.66 5.89 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.109 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.49 -33.14 20.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.26 1.024 . . . . 0.0 113.172 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -59.2 -56.88 16.5 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.575 0.75 . . . . 0.0 110.399 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.7 tt -71.8 -36.97 70.45 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.566 -174.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.739 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.2 m -63.52 -36.73 84.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.267 0.627 . . . . 0.0 111.049 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.91 -39.75 83.53 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.728 0.642 . . . . 0.0 110.602 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.69 -50.66 73.05 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 123.276 0.36 . . . . 0.0 111.056 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.415 HD23 ' HD2' ' A' ' 21' ' ' PHE . 10.5 mp -69.69 -34.54 74.08 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.516 0.726 . . . . 0.0 111.876 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.48 -43.6 80.57 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.4 0.68 . . . . 0.0 110.294 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 39.9 mt-10 -67.04 -41.84 85.87 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.047 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 30.7 mmmt -63.74 -41.27 98.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.291 0.236 . . . . 0.0 110.776 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.01 -39.28 94.28 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.77 -41.77 98.13 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.248 1.019 . . . . 0.0 110.711 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 96.2 mt-30 -75.11 -33.58 61.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.499 0.719 . . . . 0.0 110.25 -177.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -61.84 -44.08 97.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.46 1.104 . . . . 0.0 110.202 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.9 mt -80.86 -31.38 35.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.783 0.433 . . . . 0.0 111.204 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.01 81.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.227 0.611 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.6 m -86.1 -28.6 23.94 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.514 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.67 -35.97 4.7 Favored Glycine 0 C--N 1.349 1.274 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -144.37 -158.92 7.81 Favored Glycine 0 C--N 1.342 0.873 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 . . . . . 0 C--O 1.248 1.0 0 C-N-CA 123.488 0.715 . . . . 0.0 109.875 -179.276 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.37 93.68 0.3 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.59 2.193 . . . . 0.0 111.682 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 pp -128.93 151.99 78.41 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.486 1.114 . . . . 0.0 109.657 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.85 119.1 6.1 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.045 1.83 . . . . 0.0 111.43 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 m -80.67 0.92 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.506 0.722 . . . . 0.0 111.117 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.2 m -51.27 110.0 1.61 Allowed Pre-proline 0 C--N 1.359 0.979 0 C-N-CA 124.918 1.287 . . . . 0.0 111.091 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.665 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 12.8 Cg_exo -70.45 95.3 0.61 Allowed 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.865 2.377 . . . . 0.0 111.321 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -62.52 -49.74 81.92 Favored Pre-proline 0 CA--C 1.562 1.412 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.626 ' HB3' ' HA ' ' A' ' 58' ' ' ARG . 73.7 Cg_endo -83.59 140.47 9.41 Favored 'Trans proline' 0 C--N 1.384 2.446 0 C-N-CA 121.374 1.383 . . . . 0.0 110.063 157.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.4 -15.92 58.98 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.596 0.358 . . . . 0.0 110.929 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -60.39 -29.42 68.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.57 1.148 . . . . 0.0 112.382 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.665 ' HB ' ' HB3' ' A' ' 17' ' ' PRO . 60.3 t -65.16 -54.12 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -69.01 -30.65 69.09 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.094 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -70.17 -51.01 34.48 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 122.846 0.459 . . . . 0.0 110.817 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.646 HD21 HD11 ' A' ' 73' ' ' LEU . 79.7 mt -64.33 -27.44 69.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.407 . . . . 0.0 111.916 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.6 m -70.27 -49.42 50.01 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.825 0.45 . . . . 0.0 110.949 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.91 -33.74 68.53 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.825 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.403 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 48.8 m0 -70.6 -39.24 73.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.911 0.485 . . . . 0.0 110.158 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -60.94 -43.9 98.0 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.789 0.836 . . . . 0.0 110.575 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.71 -48.79 68.13 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.868 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.95 -32.16 72.4 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.121 0.968 . . . . 0.0 110.99 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.19 71.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.626 0.37 . . . . 0.0 110.571 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.23 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.05 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -80.07 -35.78 36.55 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.359 0.663 . . . . 0.0 111.779 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.58 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 3.9 tpt180 -92.09 -7.73 47.81 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.533 0.733 . . . . 0.0 110.749 -173.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.06 10.56 85.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 116.251 -0.432 . . . . 0.0 113.718 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.58 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 38.2 mmt180 -69.11 122.15 18.17 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -71.98 -3.49 23.03 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.369 0.668 . . . . 0.0 111.815 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 p -67.22 -8.34 30.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.664 0.785 . . . . 0.0 112.114 170.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -51.54 -39.07 57.05 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.087 0.555 . . . . 0.0 110.578 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -61.79 -50.13 73.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.326 1.016 . . . . 0.0 111.434 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.91 -34.41 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 122.147 0.179 . . . . 0.0 111.046 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -74.27 -33.37 63.24 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.034 0.533 . . . . 0.0 111.067 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.66 -46.04 48.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -72.27 -32.51 66.71 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 123.398 0.436 . . . . 0.0 110.744 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.32 -41.56 73.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.467 0.479 . . . . 0.0 110.449 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 62.7 tp -65.41 -44.69 86.66 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.914 0.486 . . . . 0.0 110.9 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -65.55 -37.82 87.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.889 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 70.0 m -63.28 -44.75 94.19 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.839 0.712 . . . . 0.0 110.544 173.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.52 -40.27 86.61 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.227 1.011 . . . . 0.0 111.597 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.66 -41.81 36.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.42 0.688 . . . . 0.0 111.793 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.25 -28.96 57.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.476 0.31 . . . . 0.0 111.588 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.4 t80 -76.47 119.77 78.8 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -176.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.31 -15.64 38.91 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.406 2.071 . . . . 0.0 112.745 -173.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 47.3 tp -76.06 120.75 83.03 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 109.58 176.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 55' ' ' LEU . 7.9 Cg_exo -72.64 98.92 1.0 Allowed 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 123.01 2.473 . . . . 0.0 110.743 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.26 81.47 6.51 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.626 ' HA ' ' HB3' ' A' ' 19' ' ' PRO . 35.8 ttm180 -89.65 -8.73 51.83 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.378 1.071 . . . . 0.0 110.463 177.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -121.0 134.38 55.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.503 1.121 . . . . 0.0 109.458 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.48 -22.29 69.43 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.224 -0.444 . . . . 0.0 113.132 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -65.88 -39.33 90.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 0.0 110.648 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' O ' HG12 ' A' ' 65' ' ' ILE . 28.9 mm-40 -72.85 -23.32 60.74 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.583 0.753 . . . . 0.0 111.034 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.61 -21.98 61.03 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.332 0.653 . . . . 0.0 111.741 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 48.8 tptt -64.98 -28.95 69.86 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.897 0.879 . . . . 0.0 112.186 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.5 pt -66.58 -17.03 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 117.747 0.249 . . . . 0.0 111.078 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -100.37 121.65 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -83.43 -7.73 59.51 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.508 0.723 . . . . 0.0 111.336 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -66.33 -31.88 72.95 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 73' ' ' LEU . 30.9 m-85 -75.21 -72.03 0.33 Allowed 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 166.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.45 173.89 50.01 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.69 -0.506 . . . . 0.0 112.7 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.46 -50.34 65.51 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.596 0.758 . . . . 0.0 112.824 -175.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -62.85 -46.36 88.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.837 0.711 . . . . 0.0 110.899 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.646 HD11 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -65.98 -54.21 29.06 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.7 m -62.16 -34.01 75.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.017 0.927 . . . . 0.0 112.293 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.3 tpt85 -72.79 -44.05 62.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 61.0 mtm -70.38 -34.88 73.1 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.401 0.438 . . . . 0.0 110.047 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 tp -62.34 -43.92 97.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 109.537 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.71 -40.9 92.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.793 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 22.9 mm-40 -67.35 -35.92 80.35 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.464 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 76' ' ' MET . 30.3 mmmt -67.63 -44.07 78.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.939 0.496 . . . . 0.0 110.142 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.4 tm? -62.02 -35.82 79.7 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.218 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.14 -39.83 93.58 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.318 1.047 . . . . 0.0 110.491 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 52.0 mt-30 -67.9 -36.3 79.97 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.718 0.407 . . . . 0.0 110.381 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.79 -48.07 78.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.199 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 77.6 mt -66.65 -44.89 80.67 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.426 0.454 . . . . 0.0 110.926 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.04 -51.33 56.01 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.55 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.7 t -71.44 -33.16 69.13 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.538 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.72 47.47 1.31 Allowed Glycine 0 C--N 1.347 1.193 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.932 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -83.54 -100.59 0.55 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--O 1.258 1.504 0 C-N-CA 124.129 0.972 . . . . 0.0 108.477 176.856 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 . . . . . 0 CA--C 1.564 1.504 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -88.3 -2.4 6.9 Favored 'Trans proline' 0 C--N 1.392 2.827 0 C-N-CA 121.916 1.744 . . . . 0.0 113.463 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 53.62 68.32 2.96 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.502 1.121 . . . . 0.0 110.268 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -61.54 103.71 0.28 Allowed 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 122.892 2.394 . . . . 0.0 112.218 -173.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.95 -42.84 90.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 115.03 -0.987 . . . . 0.0 111.895 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.1 m 67.69 144.18 0.09 OUTLIER Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 125.1 1.36 . . . . 0.0 112.211 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HD2' ' HG3' ' A' ' 56' ' ' PRO . 32.7 Cg_exo -60.12 100.57 0.14 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.722 2.281 . . . . 0.0 110.071 168.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -46.57 104.05 0.39 Allowed Pre-proline 0 N--CA 1.483 1.176 0 O-C-N 125.07 1.481 . . . . 0.0 112.534 -170.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.02 158.94 45.35 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 121.766 1.644 . . . . 0.0 110.664 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.8 -28.62 67.75 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.47 174.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -65.02 -40.0 94.22 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.36 -47.39 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 117.9 0.318 . . . . 0.0 111.094 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -66.56 -34.23 77.43 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.281 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.443 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.7 m0 -67.73 -43.45 79.94 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 123.788 0.68 . . . . 0.0 111.103 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -32.19 73.58 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.504 0.321 . . . . 0.0 110.716 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 HG23 HH21 ' A' ' 29' ' ' ARG . 29.3 m -73.35 -51.68 16.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.814 0.446 . . . . 0.0 111.167 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.7 pt-20 -72.67 -33.94 66.88 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.94 0.496 . . . . 0.0 111.473 -172.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -75.75 -31.07 59.41 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.066 0.546 . . . . 0.0 109.98 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 HH21 HG23 ' A' ' 26' ' ' THR . 64.4 ttp85 -68.0 -35.01 77.6 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.26 0.624 . . . . 0.0 110.647 171.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.27 -37.79 78.07 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.819 0.847 . . . . 0.0 109.981 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.64 -35.78 77.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.166 0.586 . . . . 0.0 109.963 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.45 -20.62 60.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 111.31 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.626 ' HA ' HH11 ' A' ' 40' ' ' ARG . . . -79.57 -50.19 11.07 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.178 0.591 . . . . 0.0 110.305 174.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -68.97 -48.15 63.86 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.054 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -72.19 -27.99 62.91 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.005 0.522 . . . . 0.0 111.239 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.88 37.8 12.58 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.721 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -76.02 142.59 41.8 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.717 0.807 . . . . 0.0 109.919 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -74.33 -11.96 60.4 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.173 0.589 . . . . 0.0 110.687 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -73.82 -7.57 52.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 112.641 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.626 HH11 ' HA ' ' A' ' 33' ' ' ALA . 42.2 ttp180 -55.54 -35.8 66.07 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.35 0.595 . . . . 0.0 110.874 174.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -71.07 -43.41 67.81 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.393 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.65 -32.61 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 122.502 0.321 . . . . 0.0 111.021 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -69.11 -33.97 74.33 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.06 0.544 . . . . 0.0 109.907 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.69 -50.64 56.57 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.486 0.714 . . . . 0.0 110.784 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -70.26 -31.3 68.62 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.003 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.74 69.04 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.962 0.505 . . . . 0.0 110.385 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.51 -50.67 57.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.017 0.527 . . . . 0.0 110.667 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -63.23 -43.13 98.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.361 0.664 . . . . 0.0 111.373 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 72.0 p -60.43 -40.73 92.13 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.516 0.51 . . . . 0.0 110.57 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.74 -34.57 77.1 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.812 0.845 . . . . 0.0 110.021 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.71 -35.95 79.74 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.511 0.724 . . . . 0.0 111.497 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -94.72 -6.96 41.96 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.141 0.275 . . . . 0.0 111.304 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.3 t80 -93.02 105.24 14.3 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.56 -0.88 9.45 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.991 2.46 . . . . 0.0 113.578 -170.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.07 125.44 77.22 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 109.946 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.526 ' HG3' ' HD2' ' A' ' 17' ' ' PRO . 2.8 Cg_exo -73.94 97.07 0.96 Allowed 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 123.383 2.722 . . . . 0.0 110.534 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 mt -74.01 96.34 2.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 110.273 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -98.35 -21.15 16.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.869 0.868 . . . . 0.0 110.753 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.459 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.6 t -119.93 144.19 47.58 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.962 0.905 . . . . 0.0 109.604 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.47 62.7 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 123.24 0.338 . . . . 0.0 112.769 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -63.44 -41.36 98.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.605 1.162 . . . . 0.0 110.65 172.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 32.2 mt-10 -72.67 -27.91 62.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.508 0.723 . . . . 0.0 111.106 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.91 -29.83 55.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.392 0.677 . . . . 0.0 110.971 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 21.8 tptm -60.94 -33.32 73.0 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.682 1.193 . . . . 0.0 112.517 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.8 pt -70.2 -9.77 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.13 124.7 49.56 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.43 0.692 . . . . 0.0 109.273 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.51 -11.77 59.89 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.002 0.921 . . . . 0.0 112.19 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -64.24 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.826 0.451 . . . . 0.0 110.007 171.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 4.7 m-85 -83.41 -76.55 0.28 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.577 172.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.6 174.84 50.54 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-O 119.699 -0.501 . . . . 0.0 112.682 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.96 -45.49 67.76 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.565 0.746 . . . . 0.0 112.358 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -62.41 -52.99 61.39 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.936 0.894 . . . . 0.0 111.907 -174.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 77' ' ' LEU . 1.9 tm? -68.56 -45.9 70.9 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.052 0.941 . . . . 0.0 109.662 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 65.6 m -64.87 -30.64 71.65 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.776 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.66 -42.37 82.28 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.709 0.631 . . . . 0.0 110.022 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -59.66 -46.07 90.14 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.988 0.515 . . . . 0.0 110.617 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 73' ' ' LEU . 7.6 mp -62.77 -38.39 90.41 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.602 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.57 -48.36 64.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.262 1.025 . . . . 0.0 111.61 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 38.2 mm-40 -55.75 -53.18 59.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.247 1.019 . . . . 0.0 110.132 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -65.75 -36.43 83.54 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.397 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.5 -47.24 79.7 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -38.59 91.57 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.208 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 14.9 mm100 -72.03 -29.93 64.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.212 0.605 . . . . 0.0 111.171 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -77.23 -34.05 56.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.45 0.7 . . . . 0.0 109.961 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.41 -36.55 74.09 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.361 0.665 . . . . 0.0 110.45 173.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.99 -42.04 60.99 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.794 0.838 . . . . 0.0 111.332 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.5 t -76.2 -58.01 3.53 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.624 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.76 43.48 2.87 Favored Glycine 0 C--N 1.347 1.154 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.595 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -91.26 -26.49 21.04 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-O 119.706 -0.497 . . . . 0.0 113.649 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.027 -177.66 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.26 -37.04 64.73 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.161 2.574 . . . . 0.0 112.289 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.6 mt -114.8 93.26 33.11 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 124.226 1.01 . . . . 0.0 108.34 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -84.51 33.1 0.49 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.572 2.848 . . . . 0.0 112.639 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.63 -33.54 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 124.327 1.051 . . . . 0.0 111.037 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.2 p -68.6 130.45 91.95 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 123.321 0.648 . . . . 0.0 109.891 171.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 16' ' ' CYS . 15.2 Cg_exo -68.03 91.49 0.38 Allowed 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.696 2.264 . . . . 0.0 111.727 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.7 127.52 82.06 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 123.086 0.554 . . . . 0.0 109.691 177.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HB2' HG23 ' A' ' 22' ' ' VAL . 24.2 Cg_exo -63.15 -25.03 72.83 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.9 2.4 . . . . 0.0 112.775 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 38.6 tp 76.63 -52.12 0.58 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.193 1.397 . . . . 0.0 113.52 167.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -65.19 -21.16 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.533 . . . . 0.0 111.527 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 19' ' ' PRO . 78.9 t -62.01 -55.7 22.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 122.992 0.517 . . . . 0.0 109.966 174.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 6.3 ptp180 -63.72 -36.05 82.58 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.265 0.353 . . . . 0.0 110.696 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -67.62 -51.89 44.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 123.706 0.802 . . . . 0.0 111.579 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.47 -28.8 70.21 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.43 0.292 . . . . 0.0 111.526 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -74.89 -44.98 45.86 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.899 0.479 . . . . 0.0 111.249 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.96 -38.83 69.7 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.602 0.361 . . . . 0.0 111.015 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HZ2' ' HE2' ' A' ' 80' ' ' LYS . 33.0 m0 -72.64 -34.38 67.24 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.935 0.494 . . . . 0.0 110.422 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -62.91 -39.45 94.57 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.437 0.695 . . . . 0.0 110.459 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.39 -42.09 72.17 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.82 0.7 . . . . 0.0 110.032 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.53 -37.18 86.65 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.105 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.46 -32.24 71.04 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.978 -0.451 . . . . 0.0 111.01 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.23 58.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.955 0.902 . . . . 0.0 111.548 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -97.51 -57.77 2.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.26 0.624 . . . . 0.0 111.265 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.41 -52.04 56.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.415 0.686 . . . . 0.0 110.554 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.45 68.35 0.26 Allowed Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.34 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -117.17 135.87 53.46 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -74.54 -4.07 34.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.336 0.654 . . . . 0.0 112.61 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.9 p -79.69 4.64 15.56 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.427 0.691 . . . . 0.0 111.388 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 tpt85 -51.18 -43.62 61.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.71 1.204 . . . . 0.0 111.757 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.65 -46.13 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 124.277 0.986 . . . . 0.0 111.193 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.93 -33.19 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.295 0.238 . . . . 0.0 111.287 -176.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -76.25 -29.86 57.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.133 0.573 . . . . 0.0 111.172 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.18 -48.64 75.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.89 0.476 . . . . 0.0 110.424 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -75.09 -34.87 61.8 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.553 0.533 . . . . 0.0 111.962 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.14 89.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.616 0.722 . . . . 0.0 110.098 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 55.3 tp -68.69 -40.42 80.07 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.571 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -58.36 -48.08 81.72 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.428 0.691 . . . . 0.0 110.438 -174.554 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.7 p -59.59 -48.26 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.435 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 57' ' ' LEU . 22.7 tp -62.89 -30.09 71.26 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 123.599 0.76 . . . . 0.0 112.299 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.9 mm100 -70.35 -41.65 72.88 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.662 0.385 . . . . 0.0 110.319 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 10.9 ptt180 -100.88 15.6 27.98 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.41 0.684 . . . . 0.0 111.941 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -130.0 93.96 32.4 Favored Pre-proline 0 N--CA 1.479 0.992 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 170.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.88 37.19 0.65 Allowed 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 123.718 2.946 . . . . 0.0 113.934 -170.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD12 HD23 ' A' ' 57' ' ' LEU . 2.1 tm? -83.56 130.36 56.34 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 173.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.439 ' HD2' HD22 ' A' ' 55' ' ' LEU . 55.9 Cg_endo -67.43 88.22 0.33 Allowed 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.322 2.015 . . . . 0.0 111.841 173.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD23 HD12 ' A' ' 55' ' ' LEU . 79.3 mt -74.14 104.19 4.85 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 171.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -99.92 -45.21 5.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.799 0.839 . . . . 0.0 109.76 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.61 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 37.3 t -90.28 144.77 25.53 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -64.41 -25.9 70.32 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.433 173.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -64.0 -33.1 74.96 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.492 0.717 . . . . 0.0 111.15 173.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 39.4 mt-10 -68.82 -28.32 66.64 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.616 0.366 . . . . 0.0 111.081 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -68.04 -15.12 63.46 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.292 0.637 . . . . 0.0 112.437 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.634 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 22.0 tptm -67.93 -26.26 65.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 0.0 112.199 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.2 pt -63.97 -24.85 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 -175.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.45 111.88 23.96 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 123.758 0.823 . . . . 0.0 108.93 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -77.07 -2.44 34.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.946 0.898 . . . . 0.0 112.112 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -70.63 -29.29 65.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -68.47 0.48 Allowed 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 167.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.71 172.19 34.62 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.499 -170.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.39 -42.5 87.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.378 0.671 . . . . 0.0 112.036 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -67.42 -44.82 77.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.552 0.741 . . . . 0.0 111.375 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.433 HD13 HD13 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -63.13 -44.95 94.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.876 0.871 . . . . 0.0 109.477 178.29 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 10.3 t -57.39 -39.64 76.52 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.516 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -70.46 -34.81 72.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.585 0.553 . . . . 0.0 110.912 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.55 -48.16 83.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.79 0.329 . . . . 0.0 110.485 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.433 HD13 HD13 ' A' ' 73' ' ' LEU . 9.4 mp -68.01 -30.09 69.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.746 0.818 . . . . 0.0 111.949 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.501 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 31.6 t70 -69.83 -45.63 67.4 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.826 0.85 . . . . 0.0 110.368 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 15.4 mm-40 -61.68 -52.95 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.104 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HE2' ' HZ2' ' A' ' 28' ' ' TRP . 29.3 mmmt -57.75 -41.98 83.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.611 0.764 . . . . 0.0 112.075 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.23 -48.13 83.06 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.831 0.452 . . . . 0.0 110.006 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -31.86 73.19 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.633 0.583 . . . . 0.0 111.235 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.4 mt-30 -73.79 -31.51 63.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.003 0.521 . . . . 0.0 110.239 178.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.99 -34.11 68.66 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.867 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.58 -32.43 66.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.923 0.489 . . . . 0.0 109.943 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.51 88.7 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.603 0.761 . . . . 0.0 110.815 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.3 p -80.01 -21.45 43.57 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.297 0.639 . . . . 0.0 111.242 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.44 -120.37 5.17 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 116.323 -0.399 . . . . 0.0 112.519 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.56 -45.16 0.23 Allowed Glycine 0 C--N 1.341 0.854 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 C--O 1.253 1.255 0 C-N-CA 123.913 0.885 . . . . 0.0 109.087 -178.912 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.43 -146.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.772 2.315 . . . . 0.0 111.019 169.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.1 tp 66.73 85.82 0.15 Allowed Pre-proline 0 N--CA 1.484 1.225 0 C-N-CA 124.469 1.107 . . . . 0.0 110.882 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 8.9 Cg_exo -73.89 135.38 21.25 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.643 2.228 . . . . 0.0 111.732 175.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.7 t -71.36 -60.38 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.067 0.547 . . . . 0.0 110.763 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -144.18 79.23 13.11 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.032 0.533 . . . . 0.0 109.988 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 50.3 Cg_endo -85.63 135.29 4.97 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.719 2.279 . . . . 0.0 112.219 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.21 -54.02 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.168 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.897 170.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -75.85 167.13 26.85 Favored 'Trans proline' 0 C--N 1.396 3.047 0 CA-C-N 121.076 1.42 . . . . 0.0 110.887 167.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.35 -27.45 60.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.816 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -63.33 -44.24 95.49 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.229 1.012 . . . . 0.0 112.096 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.26 -45.77 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 123.407 0.442 . . . . 0.0 110.979 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -71.77 -30.59 65.72 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.916 0.486 . . . . 0.0 111.109 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -68.68 -45.15 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.036 0.534 . . . . 0.0 110.237 175.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 76.7 mt -66.06 -29.93 70.36 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 122.325 -0.234 . . . . 0.0 111.335 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.43 ' HA ' HD22 ' A' ' 47' ' ' LEU . 99.3 m -66.97 -49.81 64.25 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.434 0.694 . . . . 0.0 110.867 177.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -67.39 -46.96 71.71 Favored 'General case' 0 C--O 1.199 -1.553 0 O-C-N 123.77 0.669 . . . . 0.0 109.982 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -64.21 -35.44 80.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.291 0.636 . . . . 0.0 111.946 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.9 ttp85 -64.39 -51.31 63.9 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.618 0.723 . . . . 0.0 110.983 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -70.79 -41.33 71.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.464 -174.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.16 -34.31 77.78 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 124.503 1.121 . . . . 0.0 110.559 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.574 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -60.89 -41.32 95.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.09 70.18 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.722 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 m -78.2 -16.31 57.99 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.726 0.81 . . . . 0.0 113.172 -171.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -104.04 -37.8 7.21 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.459 0.704 . . . . 0.0 109.591 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.97 21.86 6.51 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.197 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 mpt_? -74.95 140.95 44.06 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.3 0.64 . . . . 0.0 109.951 172.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -79.78 -5.58 55.62 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.862 0.865 . . . . 0.0 111.002 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 p -75.12 8.59 2.5 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.166 0.986 . . . . 0.0 112.817 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -49.93 -50.34 46.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.905 1.282 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -72.97 -41.23 64.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.0 0.92 . . . . 0.0 111.466 -169.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.86 -40.52 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 122.923 0.489 . . . . 0.0 110.676 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.38 -28.81 61.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.821 0.448 . . . . 0.0 110.875 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -56.45 18.21 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.378 0.671 . . . . 0.0 109.848 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -70.89 -37.05 72.98 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.879 0.737 . . . . 0.0 112.137 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.35 71.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.177 0.591 . . . . 0.0 110.722 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.9 tp -62.49 -48.58 78.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.896 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -53.77 -41.47 67.2 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.288 0.993 . . . . 0.0 110.72 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 58.7 m -64.44 -47.04 80.57 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.367 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' HG ' HD12 ' A' ' 57' ' ' LEU . 4.3 tt -62.69 -35.63 80.32 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.165 0.586 . . . . 0.0 110.276 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.5 mm-40 -65.28 -38.62 90.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.013 0.925 . . . . 0.0 110.855 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -96.32 -2.41 45.88 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.085 0.554 . . . . 0.0 112.166 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.5 t80 -84.96 120.61 73.84 Favored Pre-proline 0 N--CA 1.481 1.089 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -175.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 55' ' ' LEU . 73.8 Cg_endo -73.78 -13.73 24.33 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.83 2.353 . . . . 0.0 113.143 -175.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 54' ' ' PRO . 6.4 mp -85.2 130.77 50.61 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -81.17 98.09 1.02 Allowed 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 122.952 2.435 . . . . 0.0 111.07 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD12 ' HG ' ' A' ' 50' ' ' LEU . 76.3 mt -74.16 96.87 2.82 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.225 -176.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -99.89 0.17 40.79 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.915 0.886 . . . . 0.0 110.494 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -142.55 148.33 37.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.419 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -69.94 -20.5 76.22 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.881 173.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.56 -36.31 73.71 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.485 1.114 . . . . 0.0 110.999 169.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.4 mt-10 -80.82 -33.78 34.46 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.782 0.833 . . . . 0.0 110.833 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.09 62.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.123 0.569 . . . . 0.0 111.093 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 64.2 tttp -56.41 -36.01 68.44 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.061 1.344 . . . . 0.0 112.827 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 62' ' ' GLU . 17.6 pt -66.21 -25.6 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.033 0.533 . . . . 0.0 111.588 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -84.14 115.73 22.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.99 -13.89 62.72 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.027 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -59.9 -33.49 71.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.327 1.051 . . . . 0.0 111.345 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.41 -66.85 0.86 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.525 1.13 . . . . 0.0 108.412 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.04 152.35 20.01 Favored Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -169.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.47 -49.92 75.58 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.25 0.62 . . . . 0.0 112.291 -177.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -62.15 -40.27 95.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.536 0.734 . . . . 0.0 110.62 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD13 HD13 ' A' ' 77' ' ' LEU . 2.0 tm? -58.57 -53.25 60.48 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 124.265 0.978 . . . . 0.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 60.9 m -66.72 -28.12 68.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.881 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -71.35 -35.89 71.33 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.835 0.71 . . . . 0.0 110.171 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 90.3 mmm -62.25 -48.13 81.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.83 0.452 . . . . 0.0 110.117 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.45 HD13 HD13 ' A' ' 73' ' ' LEU . 10.9 mp -60.6 -40.76 92.97 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.702 0.801 . . . . 0.0 112.177 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.427 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 16.3 t70 -70.49 -42.83 70.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.638 0.775 . . . . 0.0 110.091 -175.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.9 mm-40 -66.25 -37.57 85.81 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.944 -1.026 . . . . 0.0 111.141 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -62.32 -48.27 80.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 0.0 111.517 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.86 -41.13 86.3 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 121.573 0.701 . . . . 0.0 109.622 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.59 -38.62 91.82 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.828 1.251 . . . . 0.0 111.317 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.9 mt-30 -73.2 -32.6 64.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 123.865 0.866 . . . . 0.0 110.448 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -60.77 -42.81 98.23 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.421 1.088 . . . . 0.0 109.879 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.53 -38.51 48.6 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.491 0.717 . . . . 0.0 111.599 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.94 75.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.726 0.811 . . . . 0.0 111.157 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.7 t -81.88 -27.62 33.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.631 0.772 . . . . 0.0 110.191 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.04 24.64 76.91 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 -173.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.91 91.12 1.71 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.552 1.039 0 C-N-CA 123.729 0.812 . . . . 0.0 109.627 -179.627 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 . . . . . 0 CA--C 1.564 1.494 0 CA-C-O 118.528 -0.749 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -86.01 41.65 0.88 Allowed 'Trans proline' 0 C--N 1.394 2.928 0 C-N-CA 121.971 1.78 . . . . 0.0 113.075 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -130.7 80.75 69.24 Favored Pre-proline 0 N--CA 1.483 1.186 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -86.1 -17.4 3.84 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.777 2.318 . . . . 0.0 112.978 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.32 149.67 6.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 123.544 0.738 . . . . 0.0 111.325 -173.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.1 131.94 80.36 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.652 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.5 75.6 4.86 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.391 2.06 . . . . 0.0 109.182 171.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -62.41 113.92 10.31 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.449 -168.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HD2' HG13 ' A' ' 22' ' ' VAL . 30.3 Cg_endo -93.21 -166.36 0.15 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.29 2.66 . . . . 0.0 112.572 173.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.81 -26.91 68.55 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.375 0.67 . . . . 0.0 112.079 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.63 -37.1 86.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.244 0.618 . . . . 0.0 112.195 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.451 HG13 ' HD2' ' A' ' 19' ' ' PRO . 36.0 m -67.55 -45.68 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 117.839 0.29 . . . . 0.0 110.992 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -68.38 -32.6 72.8 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.486 0.184 . . . . 0.0 110.752 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -66.74 -50.07 63.94 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.249 0.62 . . . . 0.0 110.61 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.18 -30.02 71.1 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.789 0.436 . . . . 0.0 111.417 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.8 m -70.0 -49.97 46.21 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.487 0.715 . . . . 0.0 111.104 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.13 -40.45 68.07 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 -174.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.461 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 39.7 m0 -64.59 -36.33 83.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.806 0.442 . . . . 0.0 110.69 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -56.15 -58.79 6.47 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.89 0.876 . . . . 0.0 110.957 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -79.05 -36.02 41.66 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.322 -168.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.012 0.525 . . . . 0.0 111.288 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -63.2 -48.41 78.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.729 0.412 . . . . 0.0 110.063 175.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB2' ' HD2' ' A' ' 40' ' ' ARG . . . -61.44 -39.39 90.64 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.196 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 t -69.87 -30.15 67.55 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.267 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -85.27 -26.87 26.37 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.697 0.799 . . . . 0.0 110.685 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.73 -24.21 5.52 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.11 0.386 . . . . 0.0 112.805 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 31.7 mmt180 -58.88 134.92 57.34 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.874 0.869 . . . . 0.0 111.58 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -88.03 8.84 24.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.424 0.69 . . . . 0.0 110.312 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -69.53 -2.24 10.84 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.53 0.732 . . . . 0.0 111.623 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HD2' ' HB2' ' A' ' 33' ' ' ALA . 45.2 ttt180 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 123.088 0.555 . . . . 0.0 110.4 171.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -69.67 -35.93 75.57 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.142 -172.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.39 -37.57 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 117.864 0.302 . . . . 0.0 110.492 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -69.72 -29.31 66.67 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.376 0.67 . . . . 0.0 110.424 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.31 -54.99 18.22 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.41 1.084 . . . . 0.0 110.834 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -72.7 -28.46 62.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.806 0.442 . . . . 0.0 111.529 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.26 93.75 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.281 0.632 . . . . 0.0 109.938 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.36 -50.04 69.28 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.557 -1.202 . . . . 0.0 111.105 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.6 mmp_? -58.79 -39.29 80.65 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.854 0.862 . . . . 0.0 111.049 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 32.3 t -65.67 -45.46 82.79 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.359 176.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 57' ' ' LEU . 45.0 tp -63.79 -39.14 93.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.941 0.896 . . . . 0.0 111.647 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -67.36 -41.57 84.89 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.478 0.711 . . . . 0.0 110.911 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -81.48 -20.82 39.38 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.636 0.374 . . . . 0.0 111.271 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 7.8 t80 -76.2 117.19 62.36 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.587 0.755 . . . . 0.0 110.047 -172.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -76.33 -17.55 16.63 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.978 2.452 . . . . 0.0 113.001 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 1.9 tm? -76.32 119.82 78.98 Favored Pre-proline 0 CA--C 1.554 1.131 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.18 101.93 1.18 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.607 2.205 . . . . 0.0 112.014 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 50' ' ' LEU . 91.4 mt -77.06 101.7 6.18 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -84.27 -22.7 30.66 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.523 1.129 . . . . 0.0 110.413 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.8 m -136.71 158.61 44.04 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.187 0.995 . . . . 0.0 110.582 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.45 -16.48 79.97 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.999 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.2 -34.65 75.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.608 1.163 . . . . 0.0 110.519 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 65' ' ' ILE . 46.3 mt-10 -83.25 -26.78 30.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.258 0.623 . . . . 0.0 110.058 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.78 60.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.959 0.503 . . . . 0.0 111.569 173.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 56.0 tttp -62.62 -32.73 73.8 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.427 1.091 . . . . 0.0 111.389 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.4 pt -69.58 -11.79 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 122.687 0.395 . . . . 0.0 111.332 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mp -104.68 113.5 27.12 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.413 0.685 . . . . 0.0 109.647 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.61 -9.65 58.57 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.039 0.935 . . . . 0.0 111.111 173.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -57.67 -39.78 77.87 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.31 1.044 . . . . 0.0 110.581 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.498 ' HB3' HD22 ' A' ' 73' ' ' LEU . 3.1 m-85 -76.33 -54.39 6.84 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.58 145.38 18.93 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.211 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -50.31 -39.41 45.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.04 1.336 . . . . 0.0 113.408 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' NH2' ' HG3' ' A' ' 75' ' ' ARG . 5.1 mmp_? -73.43 -40.18 64.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.02 0.528 . . . . 0.0 111.455 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 69' ' ' PHE . 6.8 tt -69.56 -37.37 76.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.116 0.566 . . . . 0.0 109.719 178.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 71.9 m -63.19 -36.23 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.211 1.004 . . . . 0.0 110.051 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.426 ' HG3' ' NH2' ' A' ' 72' ' ' ARG . 20.4 mmt180 -67.14 -46.72 73.23 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.712 172.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.7 mmm -59.98 -39.81 86.98 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.256 0.551 . . . . 0.0 110.01 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.29 -45.13 70.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.094 1.358 . . . . 0.0 110.796 -174.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.63 -35.09 62.88 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 41.6 mt-10 -68.46 -38.86 81.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.81 0.844 . . . . 0.0 110.831 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.1 mmmt -64.38 -44.85 90.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.091 0.556 . . . . 0.0 110.949 173.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.8 tm? -61.56 -35.2 77.11 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -67.48 -40.9 85.28 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.5 mt-30 -65.48 -34.81 79.15 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.124 0.569 . . . . 0.0 109.873 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -59.67 -49.22 78.59 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 109.999 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 75.0 mt -72.67 -21.88 61.0 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.344 0.658 . . . . 0.0 112.077 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.8 -60.06 2.07 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.929 0.491 . . . . 0.0 111.054 -173.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.0 m -75.29 -37.94 60.61 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.254 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.7 -28.95 20.15 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 112.989 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.92 -85.92 0.77 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 124.113 0.965 . . . . 0.0 108.779 178.057 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.06 83.66 0.56 Allowed 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.562 2.175 . . . . 0.0 111.43 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.23 148.59 98.27 Favored Pre-proline 0 CA--C 1.556 1.191 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.61 -176.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -59.96 107.9 0.44 Allowed 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 122.898 2.398 . . . . 0.0 113.044 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.59 -31.57 32.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.252 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.7 m -85.63 160.79 52.67 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.524 1.129 . . . . 0.0 109.72 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.11 140.93 80.75 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 122.627 2.218 . . . . 0.0 112.034 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.45 136.6 95.93 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.72 0.808 . . . . 0.0 110.102 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' VAL . 26.8 Cg_endo -58.9 142.36 99.07 Favored 'Trans proline' 0 C--N 1.391 2.78 0 C-N-CA 123.166 2.578 . . . . 0.0 112.146 -177.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp -78.93 -28.6 43.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.543 0.737 . . . . 0.0 112.057 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -72.05 -21.13 61.57 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.158 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 19' ' ' PRO . 9.9 p -70.22 -39.65 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 118.016 0.371 . . . . 0.0 110.29 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -74.06 -36.49 64.34 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -65.18 -42.33 93.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.874 0.734 . . . . 0.0 111.296 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 77' ' ' LEU . 73.0 mt -73.07 -30.88 64.01 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.484 0.314 . . . . 0.0 111.388 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.5 m -66.88 -47.72 70.98 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.164 0.29 . . . . 0.0 110.692 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.52 -43.89 68.7 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 123.514 0.509 . . . . 0.0 110.52 -175.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -65.18 -30.94 71.89 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 118.204 0.456 . . . . 0.0 111.613 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -68.59 -46.23 69.9 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.783 0.833 . . . . 0.0 110.96 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.36 -40.21 77.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.779 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -68.62 -35.41 77.27 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 124.067 0.947 . . . . 0.0 109.545 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.65 72.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.081 0.552 . . . . 0.0 111.132 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.78 63.06 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.002 0.43 . . . . 0.0 110.508 172.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -74.14 -21.73 59.74 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.619 0.768 . . . . 0.0 112.428 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -109.53 -1.61 18.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.587 0.755 . . . . 0.0 111.136 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.17 14.77 81.57 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.223 0.449 . . . . 0.0 114.223 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -67.6 135.47 52.95 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.775 0.83 . . . . 0.0 110.554 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -80.06 -9.39 59.69 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.308 0.643 . . . . 0.0 112.037 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -79.5 5.13 13.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.798 0.839 . . . . 0.0 112.781 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.5 -40.98 75.9 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.013 0.525 . . . . 0.0 112.167 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.77 -35.03 67.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 8.6 p -76.68 -32.06 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 122.489 0.316 . . . . 0.0 110.265 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.79 -33.17 72.0 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.844 0.458 . . . . 0.0 110.529 171.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -52.11 32.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.604 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 19.3 ptpt -71.48 -30.21 65.72 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.36 0.413 . . . . 0.0 111.442 -175.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.44 76.1 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.013 0.525 . . . . 0.0 109.918 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 54.6 tp -58.32 -50.76 72.49 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.819 173.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -60.59 -38.11 83.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.379 1.072 . . . . 0.0 110.615 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 t -69.14 -34.91 75.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.933 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.663 ' HG ' HD12 ' A' ' 57' ' ' LEU . 6.7 tt -73.24 -41.48 63.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.449 0.7 . . . . 0.0 109.565 178.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 57.6 mt-30 -61.87 -35.2 77.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.924 0.89 . . . . 0.0 111.578 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -85.68 -35.17 21.04 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 122.803 0.441 . . . . 0.0 111.81 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -72.83 118.19 66.09 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.274 0.63 . . . . 0.0 109.635 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.99 43.75 1.44 Allowed 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.844 2.363 . . . . 0.0 112.871 -173.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.7 tp -122.81 127.56 25.7 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 123.296 0.638 . . . . 0.0 109.781 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.55 89.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.559 2.839 . . . . 0.0 112.576 170.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.663 HD12 ' HG ' ' A' ' 50' ' ' LEU . 95.7 mt -82.47 91.29 6.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.183 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.03 -26.76 10.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.259 0.624 . . . . 0.0 109.864 169.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 m -86.0 123.91 31.85 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -65.48 -23.95 70.61 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 123.429 0.456 . . . . 0.0 113.781 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -58.85 -32.3 69.31 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.515 1.126 . . . . 0.0 111.451 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.28 6.8 35.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.551 0.74 . . . . 0.0 112.452 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.45 25.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 122.525 0.33 . . . . 0.0 110.851 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 34.7 ttpt -71.79 -15.68 62.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -173.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 pt -66.75 -19.33 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 122.492 0.317 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . 2.8 mp -97.46 141.0 31.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.27 0.628 . . . . 0.0 109.357 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -66.86 -28.08 68.05 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.098 0.959 . . . . 0.0 113.132 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -72.39 -21.21 61.31 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 7.4 m-85 -84.1 -81.62 0.17 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.99 179.93 41.38 Favored Glycine 0 N--CA 1.473 1.143 0 CA-C-O 120.093 -0.282 . . . . 0.0 112.408 -174.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.81 -48.05 80.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.76 0.824 . . . . 0.0 112.934 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.5 -46.22 83.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.285 0.634 . . . . 0.0 110.778 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -50.45 62.15 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.717 -176.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 38.8 t -61.28 -34.06 74.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.623 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.53 -34.96 75.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.711 0.632 . . . . 0.0 110.21 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.16 -52.05 67.35 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.715 0.406 . . . . 0.0 110.2 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 25' ' ' LEU . 10.2 mp -62.91 -39.18 93.75 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.229 0.611 . . . . 0.0 111.949 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.473 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 25.7 t70 -74.72 -41.07 60.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 0.0 111.381 -174.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.5 mm-40 -64.4 -51.75 61.69 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.131 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -60.15 -42.56 95.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.991 0.517 . . . . 0.0 111.477 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.87 -39.57 94.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.034 0.534 . . . . 0.0 109.881 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -61.52 -39.69 91.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.585 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mm-40 -76.09 -35.62 59.28 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.488 0.315 . . . . 0.0 110.473 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -52.7 -50.63 62.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.963 1.305 . . . . 0.0 110.255 173.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 90' ' ' ASP . 90.3 mt -65.77 -50.3 65.26 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.265 176.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.84 -18.47 64.18 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -108.91 -13.09 14.81 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.987 0.515 . . . . 0.0 112.109 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.81 -56.02 0.02 OUTLIER Glycine 0 C--N 1.357 1.699 0 C-N-CA 120.693 -0.765 . . . . 0.0 114.927 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.39 -23.83 58.44 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 115.391 0.917 . . . . 0.0 115.391 -170.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 85' ' ' LEU . 20.8 t70 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 124.498 1.119 . . . . 0.0 108.965 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 2.7 Cg_exo -75.06 96.98 1.04 Allowed 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.301 2.001 . . . . 0.0 110.114 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -106.67 109.95 63.43 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.0 95.59 0.91 Allowed 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.367 2.045 . . . . 0.0 111.023 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -74.08 -6.01 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.483 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.0 m -85.1 107.5 12.03 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.247 1.019 . . . . 0.0 110.123 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.22 97.37 1.13 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.586 2.191 . . . . 0.0 110.559 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -155.88 -46.85 0.01 OUTLIER Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 124.09 0.956 . . . . 0.0 111.369 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.487 ' O ' HG22 ' A' ' 22' ' ' VAL . 38.4 Cg_exo -62.6 100.96 0.24 Allowed 'Trans proline' 0 C--N 1.394 2.934 0 CA-C-N 121.096 1.427 . . . . 0.0 110.408 168.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.99 -20.76 66.14 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.62 0.768 . . . . 0.0 112.218 -172.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 50' ' ' LEU . 18.7 m-30 -70.26 -21.13 63.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.005 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 19' ' ' PRO . 19.9 m -66.28 -43.9 91.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -73.0 -34.91 66.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 122.562 0.345 . . . . 0.0 110.112 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -71.61 -34.72 70.1 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 123.747 0.654 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.609 HD21 HD21 ' A' ' 73' ' ' LEU . 71.4 mt -76.48 -28.27 56.41 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.583 0.353 . . . . 0.0 111.717 174.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.5 m -69.55 -49.46 54.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.849 0.459 . . . . 0.0 110.407 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.03 -38.87 83.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.499 0.319 . . . . 0.0 110.949 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -68.31 -40.29 81.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.066 0.546 . . . . 0.0 111.099 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HG2' ' NH1' ' A' ' 40' ' ' ARG . 19.9 ttp85 -62.41 -37.36 85.52 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 109.999 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -46.44 72.92 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.648 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.51 -35.27 79.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.576 0.75 . . . . 0.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.48 56.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.875 0.87 . . . . 0.0 111.206 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB2' ' NH1' ' A' ' 40' ' ' ARG . . . -75.67 -58.92 3.0 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 171.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.5 m -61.57 -46.67 88.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.406 1.082 . . . . 0.0 112.052 -172.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -81.54 -18.21 45.77 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.855 0.862 . . . . 0.0 110.59 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.92 82.1 0.45 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.64 144.24 50.97 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.03 0.932 . . . . 0.0 109.001 -174.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -61.29 -31.54 71.38 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.055 0.455 . . . . 0.0 110.44 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 p -67.97 -5.2 15.94 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.508 1.123 . . . . 0.0 113.545 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' NH1' ' HG2' ' A' ' 29' ' ' ARG . 20.4 tpt180 -51.01 -45.41 61.22 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.594 0.758 . . . . 0.0 111.125 173.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -73.06 -36.74 66.93 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.946 -174.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.46 -39.21 47.8 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 CA-C-N 117.509 0.14 . . . . 0.0 110.777 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.6 -33.15 73.55 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.844 0.457 . . . . 0.0 110.408 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -63.73 -56.28 16.82 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.96 0.904 . . . . 0.0 110.784 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -71.33 -29.39 64.95 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.604 0.565 . . . . 0.0 111.663 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.061 0.545 . . . . 0.0 110.361 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.7 tp -64.03 -42.52 97.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.483 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -63.89 -40.15 95.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.063 0.545 . . . . 0.0 111.231 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 69.9 m -65.11 -37.54 87.79 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.412 0.685 . . . . 0.0 110.842 176.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.642 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.5 tt -68.18 -39.79 82.42 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.529 0.732 . . . . 0.0 109.487 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.68 -44.83 92.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.556 0.742 . . . . 0.0 111.24 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' A' ' 12' ' ' PRO . 16.4 ptm180 -77.95 -17.66 56.94 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.574 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 49' ' ' SER . 3.3 t80 -77.62 118.78 74.24 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.041 0.536 . . . . 0.0 109.759 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -84.76 25.38 0.7 Allowed 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.841 2.36 . . . . 0.0 113.608 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -112.3 137.02 21.4 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 123.264 0.626 . . . . 0.0 109.521 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.0 93.18 1.08 Allowed 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.726 2.284 . . . . 0.0 111.345 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.642 HD12 ' HG ' ' A' ' 50' ' ' LEU . 65.8 mt -79.45 105.48 10.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.3 0.64 . . . . 0.0 110.387 -176.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -132.45 -3.68 3.38 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.713 0.805 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.664 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.8 t -120.84 138.05 54.25 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.77 -24.79 62.81 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 123.471 0.482 . . . . 0.0 113.356 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.6 -44.69 93.25 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.895 0.878 . . . . 0.0 110.163 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.664 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 15.3 mm-40 -72.17 -25.36 61.66 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.415 0.686 . . . . 0.0 110.975 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.94 -21.45 34.1 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.963 0.505 . . . . 0.0 111.273 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 52.2 tttm -72.68 -29.14 63.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.726 0.81 . . . . 0.0 112.035 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 pt -63.86 -17.42 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 122.702 0.401 . . . . 0.0 111.583 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.4 105.88 17.98 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.09 -9.56 58.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -65.25 -25.24 67.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.98 0.912 . . . . 0.0 110.368 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.634 ' HB3' HD22 ' A' ' 73' ' ' LEU . 1.5 m-30 -77.68 -50.82 11.67 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.924 0.89 . . . . 0.0 109.27 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.43 153.21 30.07 Favored Glycine 0 C--N 1.342 0.909 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.574 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.11 -46.39 44.77 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.816 1.246 . . . . 0.0 112.562 -174.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.19 -52.09 63.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.935 0.894 . . . . 0.0 110.224 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.0 tt -65.3 -40.02 93.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.008 0.923 . . . . 0.0 110.906 -175.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 78.5 m -61.47 -37.67 84.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.565 0.746 . . . . 0.0 111.022 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.82 -35.42 67.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.036 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.5 mtp -64.43 -41.09 96.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.586 0.754 . . . . 0.0 110.802 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.26 -43.76 98.34 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.051 0.94 . . . . 0.0 110.955 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.36 -31.96 73.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.069 0.948 . . . . 0.0 111.147 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.48 -48.25 50.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.592 0.757 . . . . 0.0 110.519 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.62 -50.34 74.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.926 0.49 . . . . 0.0 110.817 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.26 -43.13 78.44 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 124.347 1.029 . . . . 0.0 110.203 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -61.7 -49.88 74.71 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.167 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -74.66 -34.15 62.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.974 0.51 . . . . 0.0 111.124 -170.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.76 -52.9 54.53 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 124.029 0.831 . . . . 0.0 109.571 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.3 mt -70.77 -24.22 62.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.695 0.622 . . . . 0.0 111.257 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.1 -40.18 75.08 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.084 0.554 . . . . 0.0 109.987 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.0 t -77.52 -24.92 49.91 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.437 0.695 . . . . 0.0 110.88 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 164.27 130.34 1.12 Allowed Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.58 147.8 45.4 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 116.796 0.298 . . . . 0.0 113.19 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.936 -172.684 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 35.2 mmt180 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 11.8 Cg_exo -70.19 108.13 2.09 Favored 'Trans proline' 0 C--N 1.38 2.228 0 C-N-CA 122.713 2.276 . . . . 0.0 111.295 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.8 tp -141.89 73.74 22.77 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.908 0.883 . . . . 0.0 108.762 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -84.77 133.86 5.23 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 122.278 1.985 . . . . 0.0 111.881 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.99 -7.86 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.949 0.5 . . . . 0.0 111.562 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.6 m 66.2 172.28 0.09 OUTLIER Pre-proline 0 CA--C 1.571 1.765 0 C-N-CA 124.407 1.083 . . . . 0.0 112.062 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.86 -30.92 87.3 Favored 'Trans proline' 0 C--N 1.384 2.425 0 C-N-CA 122.424 2.083 . . . . 0.0 112.018 166.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.448 ' OD1' ' HG ' ' A' ' 20' ' ' LEU . 29.6 t-20 -155.9 116.85 2.25 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 174.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -75.31 7.48 2.96 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 122.889 2.392 . . . . 0.0 115.157 -171.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.448 ' HG ' ' OD1' ' A' ' 18' ' ' ASN . 81.6 mt -53.37 -50.58 64.79 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -171.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -64.33 -45.46 87.74 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.3 -36.53 49.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -70.41 -42.51 71.54 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.35 0.26 . . . . 0.0 110.394 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.42 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 26.2 m0 -65.66 -43.09 90.45 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.526 0.517 . . . . 0.0 110.859 -176.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.597 HD21 HD11 ' A' ' 73' ' ' LEU . 73.1 mt -66.41 -34.34 77.73 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -74.76 -45.36 44.34 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 117.737 0.244 . . . . 0.0 111.189 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 13.1 pt-20 -72.41 -39.54 67.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.728 0.411 . . . . 0.0 110.819 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.434 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 51.7 m0 -72.51 -33.01 66.61 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.838 0.455 . . . . 0.0 109.986 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.4 ttm180 -60.07 -51.56 69.09 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.144 0.497 . . . . 0.0 110.283 171.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.1 -44.12 97.36 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.188 0.995 . . . . 0.0 110.625 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.38 -42.46 87.91 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.73 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.76 70.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.253 0.621 . . . . 0.0 111.1 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.81 88.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.663 0.785 . . . . 0.0 110.525 175.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -86.65 -29.82 22.23 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.363 0.665 . . . . 0.0 112.643 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -101.42 7.98 42.35 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.76 0.824 . . . . 0.0 112.024 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.79 28.07 72.46 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.525 0.516 . . . . 0.0 114.308 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.22 130.87 38.76 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.233 0.613 . . . . 0.0 109.424 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -78.0 -10.14 59.46 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.756 0.822 . . . . 0.0 110.885 -176.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.8 p -68.2 -10.73 56.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.487 0.715 . . . . 0.0 112.052 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 23.4 ttp180 -51.78 -42.19 62.23 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.394 0.616 . . . . 0.0 110.953 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -68.7 -37.79 79.8 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 113.706 -1.588 . . . . 0.0 111.2 -175.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.14 -34.71 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 117.576 0.171 . . . . 0.0 110.56 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -68.09 -30.26 69.4 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.005 0.522 . . . . 0.0 110.063 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.454 ' HA ' HH21 ' A' ' 29' ' ' ARG . 52.7 tt0 -71.74 -54.9 8.77 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.918 0.887 . . . . 0.0 111.272 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -70.29 -32.79 70.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.763 0.664 . . . . 0.0 111.767 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.47 64.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.825 0.45 . . . . 0.0 110.713 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 57.5 tp -63.33 -45.85 89.35 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.4 -34.32 75.16 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.681 0.613 . . . . 0.0 110.727 -177.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.3 t -64.7 -40.87 96.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.616 0.767 . . . . 0.0 110.463 173.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 tp -73.18 -30.64 63.69 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.503 0.721 . . . . 0.0 111.003 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 19.6 mm-40 -68.04 -38.45 82.51 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.588 0.755 . . . . 0.0 110.839 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -84.29 -24.3 29.93 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.43 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 10.0 t80 -82.55 116.33 63.21 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.083 0.553 . . . . 0.0 109.549 -176.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -80.32 1.96 8.86 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.94 2.427 . . . . 0.0 113.539 -173.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.428 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -94.75 114.7 64.17 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.54 96.74 1.0 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.209 1.94 . . . . 0.0 110.624 173.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 66' ' ' LEU . 78.1 mt -52.53 -50.09 63.56 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.42 1.088 . . . . 0.0 111.677 -174.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 71.12 -61.04 0.49 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.258 1.423 . . . . 0.0 112.154 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -89.3 148.0 23.79 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.828 0.851 . . . . 0.0 110.001 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.49 -20.07 79.26 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.37 -33.36 75.66 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.429 0.614 . . . . 0.0 111.609 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.5 mt-10 -79.34 -9.77 59.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.679 . . . . 0.0 112.204 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -75.11 -17.47 60.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.811 0.444 . . . . 0.0 111.214 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -69.22 -33.92 74.05 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.045 0.938 . . . . 0.0 112.014 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 62' ' ' GLU . 27.6 pt -63.65 -32.98 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 120.813 0.34 . . . . 0.0 110.742 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 57' ' ' LEU . 96.1 mt -86.52 104.84 16.36 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.73 -22.55 65.47 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.892 1.277 . . . . 0.0 112.475 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -59.8 -33.2 71.41 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.597 0.759 . . . . 0.0 110.758 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.445 ' HD2' HD12 ' A' ' 73' ' ' LEU . 5.1 m-85 -71.46 -70.28 0.33 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 171.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 176.46 51.24 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.81 -43.53 98.56 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.03 -45.69 87.77 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.886 0.474 . . . . 0.0 110.952 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.597 HD11 HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -69.56 -48.96 58.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.851 0.86 . . . . 0.0 109.67 -176.717 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 38.7 t -55.58 -38.45 69.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.62 1.168 . . . . 0.0 110.891 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -67.9 -46.92 70.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.504 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 86.4 mmm -55.22 -53.75 52.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 111.499 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD13 HD13 ' A' ' 73' ' ' LEU . 8.0 mp -67.54 -32.02 72.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.987 0.515 . . . . 0.0 111.69 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.28 -47.1 65.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.119 0.568 . . . . 0.0 110.828 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 61.6 mt-10 -69.54 -46.46 66.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.945 0.898 . . . . 0.0 110.747 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 28.8 mmmt -64.39 -41.59 96.58 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.548 0.739 . . . . 0.0 111.141 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 57.0 tp -54.2 -48.39 71.04 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.863 0.727 . . . . 0.0 109.19 174.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.08 -40.57 94.19 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.487 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 78.2 mt-30 -65.47 -39.21 91.7 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.414 0.626 . . . . 0.0 110.632 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -70.51 -46.69 63.19 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.168 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 63.9 mt -74.24 -28.02 61.04 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.959 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.55 70.6 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.275 0.63 . . . . 0.0 110.657 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.1 t -69.22 -34.61 75.13 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.968 174.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.74 43.3 36.04 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.772 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.94 175.94 22.81 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-N 114.865 -0.668 . . . . 0.0 111.767 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 123.78 0.832 . . . . 0.0 108.832 -179.526 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.08 104.7 1.82 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.248 1.965 . . . . 0.0 111.747 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.02 123.2 87.64 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 122.939 0.496 . . . . 0.0 109.938 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -83.83 49.52 2.88 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.46 2.773 . . . . 0.0 112.555 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.33 -2.1 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.306 1.442 . . . . 0.0 113.381 -175.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.7 p -62.26 121.2 64.86 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 123.645 0.778 . . . . 0.0 109.475 170.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.66 100.43 0.11 Allowed 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 122.937 2.424 . . . . 0.0 112.233 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -110.95 98.33 38.1 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.137 0.975 . . . . 0.0 110.172 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.82 -60.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.838 2.358 . . . . 0.0 110.645 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp -171.4 -34.75 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.539 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -65.37 -33.41 75.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.265 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -55.25 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 122.611 0.364 . . . . 0.0 110.765 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -60.33 -34.25 73.56 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 122.992 0.182 . . . . 0.0 111.008 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -65.61 -47.44 75.67 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.473 0.709 . . . . 0.0 111.392 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.73 -28.37 68.37 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.946 0.498 . . . . 0.0 111.354 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -71.3 -51.62 23.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.889 0.876 . . . . 0.0 110.846 177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 12.7 pt-20 -68.11 -42.6 80.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.474 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.0 -35.63 76.9 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.217 0.607 . . . . 0.0 110.718 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -41.99 91.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.681 0.793 . . . . 0.0 110.771 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.34 -37.76 68.79 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.767 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 50.3 mm-40 -61.19 -42.13 98.03 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.85 -21.2 60.98 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.025 0.93 . . . . 0.0 112.093 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -76.29 -49.83 15.96 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.043 0.537 . . . . 0.0 110.697 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -74.6 -52.85 10.64 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.581 0.753 . . . . 0.0 111.481 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -68.29 -27.89 66.71 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.97 0.908 . . . . 0.0 110.821 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.64 83.5 0.67 Allowed Glycine 0 C--N 1.351 1.362 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -130.74 145.1 51.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.391 1.076 . . . . 0.0 109.214 -176.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -68.48 -22.09 64.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.098 0.959 . . . . 0.0 112.007 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.4 p -78.68 -5.6 53.51 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 13.3 ttp180 -52.42 -40.81 62.6 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.393 0.616 . . . . 0.0 111.674 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -71.17 -44.39 65.6 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.112 -1.404 . . . . 0.0 111.21 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.19 -34.04 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.122 0.169 . . . . 0.0 110.631 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -64.79 -42.37 95.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.035 0.534 . . . . 0.0 109.962 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -65.16 -45.2 85.92 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.131 0.973 . . . . 0.0 111.914 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -65.32 -48.8 71.8 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.608 0.763 . . . . 0.0 110.477 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.32 90.52 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.559 177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.35 -52.13 65.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.982 0.913 . . . . 0.0 110.513 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -46.75 87.82 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.989 0.916 . . . . 0.0 110.252 -176.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -60.23 -43.35 96.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.483 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -66.97 -40.1 87.37 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.143 0.577 . . . . 0.0 110.313 -177.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -68.07 -27.01 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.676 0.79 . . . . 0.0 112.325 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 ptt85 -95.42 -22.61 17.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.655 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HE2' HD21 ' A' ' 57' ' ' LEU . 12.4 t80 -76.87 117.66 66.41 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 123.889 0.876 . . . . 0.0 109.595 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.87 32.04 0.51 Allowed 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 123.124 2.549 . . . . 0.0 113.787 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -124.44 119.28 26.13 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -67.65 96.78 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.326 2.017 . . . . 0.0 111.573 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' A' ' 50' ' ' LEU . 77.7 mt -68.09 104.05 1.68 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.363 0.665 . . . . 0.0 110.065 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -98.96 -10.67 22.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.836 0.854 . . . . 0.0 111.157 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.5 m -142.31 154.09 44.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.157 0.583 . . . . 0.0 111.031 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.539 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.79 -24.11 71.17 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.465 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.88 -48.4 70.11 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.16 0.984 . . . . 0.0 110.398 169.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.3 mt-10 -75.68 -32.54 60.18 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.747 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -73.44 -29.3 62.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.555 0.742 . . . . 0.0 111.896 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.519 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.1 ttpt -68.66 -23.96 64.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.491 1.116 . . . . 0.0 112.603 -172.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 62' ' ' GLU . 24.0 pt -73.64 -18.39 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.386 0.275 . . . . 0.0 111.216 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -95.6 117.77 31.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -73.28 -16.29 61.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -67.8 -18.71 64.94 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.082 0.553 . . . . 0.0 111.545 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -83.39 -75.27 0.33 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 174.11 38.48 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 116.706 -0.225 . . . . 0.0 112.84 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.33 -59.61 4.71 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.885 0.874 . . . . 0.0 112.065 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -54.74 -48.19 72.88 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.501 1.12 . . . . 0.0 111.505 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 77' ' ' LEU . 1.5 tm? -63.15 -52.3 62.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.791 1.236 . . . . 0.0 110.235 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 63.3 m -64.3 -34.45 78.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.162 0.585 . . . . 0.0 111.737 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.97 -41.27 91.4 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.89 0.744 . . . . 0.0 111.055 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.6 mtp -61.51 -51.07 70.15 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 73' ' ' LEU . 6.9 mp -58.28 -41.97 85.52 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.819 0.848 . . . . 0.0 112.092 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.539 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 29.5 t70 -73.01 -43.07 62.55 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.832 0.853 . . . . 0.0 110.851 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.4 mm-40 -65.6 -43.27 90.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -61.5 -43.43 98.87 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.217 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.91 -41.21 95.66 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.782 0.833 . . . . 0.0 109.42 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -61.99 -40.08 94.41 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.34 1.056 . . . . 0.0 110.743 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 53.8 mt-30 -70.67 -33.45 70.96 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.153 0.501 . . . . 0.0 109.834 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -70.24 -32.08 69.77 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.886 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.67 -34.84 58.21 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.96 0.504 . . . . 0.0 110.416 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.61 -38.21 62.63 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.608 0.763 . . . . 0.0 111.824 -174.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -111.18 -9.71 14.33 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.406 0.682 . . . . 0.0 111.971 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.61 -48.74 3.58 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -173.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.89 166.1 39.18 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 109.919 -1.273 . . . . 0.0 109.919 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--O 1.253 1.266 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.337 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' HB3' ' HD3' ' A' ' 12' ' ' PRO . 43.6 ttm-85 . . . . . 0 CA--C 1.565 1.527 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.52 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 11' ' ' ARG . 11.4 Cg_exo -72.77 -43.35 0.87 Allowed 'Trans proline' 0 C--N 1.395 2.975 0 C-N-CA 121.762 1.641 . . . . 0.0 111.923 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -159.53 156.06 24.38 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.058 1.343 . . . . 0.0 108.188 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.43 -49.59 10.24 Favored 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.526 2.151 . . . . 0.0 112.343 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -91.56 90.82 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 123.155 0.582 . . . . 0.0 109.636 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.0 t -67.22 137.31 94.04 Favored Pre-proline 0 N--CA 1.48 1.045 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.809 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.13 80.12 0.39 Allowed 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.098 2.532 . . . . 0.0 113.044 -175.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -105.93 117.5 57.51 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 124.27 1.028 . . . . 0.0 108.978 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.53 ' O ' HG12 ' A' ' 22' ' ' VAL . 74.5 Cg_endo -72.89 -169.42 0.5 Allowed 'Trans proline' 0 C--N 1.37 1.66 0 C-N-CA 122.89 2.393 . . . . 0.0 112.248 173.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.03 -15.82 63.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 122.2 -0.313 . . . . 0.0 111.443 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -63.95 -22.46 66.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.475 0.71 . . . . 0.0 111.697 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 19' ' ' PRO . 7.6 p -62.5 -53.1 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.145 0.43 . . . . 0.0 110.53 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' NH2' ' HE1' ' A' ' 24' ' ' TRP . 32.5 ptt85 -70.89 -33.11 70.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -177.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.411 ' HE1' ' NH2' ' A' ' 23' ' ' ARG . 40.6 m0 -67.56 -45.67 74.94 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 123.809 0.693 . . . . 0.0 111.125 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.558 HD21 HD21 ' A' ' 73' ' ' LEU . 95.2 mt -65.05 -32.01 73.51 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.501 0.32 . . . . 0.0 111.284 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.538 HG23 HH21 ' A' ' 29' ' ' ARG . 90.0 m -68.66 -50.26 52.57 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.44 0.696 . . . . 0.0 111.336 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 11.0 pt-20 -73.33 -39.63 65.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -172.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' HZ3' HD12 ' A' ' 77' ' ' LEU . 47.8 m0 -71.73 -31.12 66.36 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.979 0.512 . . . . 0.0 110.757 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.538 HH21 HG23 ' A' ' 26' ' ' THR . 22.0 ttp180 -60.18 -46.67 88.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.549 0.74 . . . . 0.0 110.388 169.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.62 -32.1 69.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.312 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 14.0 mm-40 -74.13 -30.94 62.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.186 0.594 . . . . 0.0 110.617 174.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -74.72 -21.95 59.09 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.596 0.359 . . . . 0.0 111.21 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.53 -42.52 14.34 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.49 0.716 . . . . 0.0 110.403 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -74.66 -48.82 24.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.773 0.829 . . . . 0.0 111.245 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -82.56 -3.0 55.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.912 0.885 . . . . 0.0 111.336 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.6 40.04 90.64 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.204 0.315 . . . . 0.0 113.342 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 36.6 mmt180 -87.01 -16.31 36.07 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.411 0.684 . . . . 0.0 111.526 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m80 71.12 -13.2 0.53 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.498 1.519 . . . . 0.0 113.826 173.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 p -73.74 5.44 4.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.914 0.886 . . . . 0.0 112.607 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -56.48 -30.1 62.53 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 123.593 0.757 . . . . 0.0 111.68 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.21 -39.76 71.55 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.753 0.821 . . . . 0.0 112.082 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.62 -36.55 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -70.13 -30.27 67.41 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.507 0.723 . . . . 0.0 110.981 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.94 -49.22 25.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.588 1.155 . . . . 0.0 111.431 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.9 -32.09 70.24 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.446 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.32 81.47 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.098 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.2 tp -59.48 -50.48 73.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.629 0.772 . . . . 0.0 110.92 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -60.26 -48.12 83.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 78.1 p -66.43 -32.73 74.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD21 ' HD2' ' A' ' 19' ' ' PRO . 8.6 tt -66.7 -36.82 83.41 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.394 0.678 . . . . 0.0 110.397 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 11.3 mm100 -69.86 -30.55 68.05 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 121.246 0.546 . . . . 0.0 110.731 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -91.9 -3.64 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.093 0.957 . . . . 0.0 111.353 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' SER . 7.0 t80 -105.02 100.39 24.26 Favored Pre-proline 0 N--CA 1.481 1.104 0 C-N-CA 123.799 0.84 . . . . 0.0 109.056 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -78.07 4.28 6.32 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.955 2.437 . . . . 0.0 113.787 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.488 HD22 ' HD2' ' A' ' 56' ' ' PRO . 2.9 tm? -82.08 118.26 71.39 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.488 ' HD2' HD22 ' A' ' 55' ' ' LEU . 53.2 Cg_endo -67.43 94.01 0.36 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.839 2.359 . . . . 0.0 112.578 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.86 82.84 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 108.986 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -81.67 -22.01 37.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 122.108 -0.37 . . . . 0.0 110.457 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -111.64 140.33 46.35 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.467 1.107 . . . . 0.0 108.246 171.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.64 -12.47 84.19 Favored Glycine 0 C--O 1.221 -0.674 0 CA-C-O 119.813 -0.437 . . . . 0.0 113.432 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.33 -22.11 65.62 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.008 0.523 . . . . 0.0 110.231 171.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 65' ' ' ILE . 35.6 mt-10 -74.03 -15.18 61.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.351 0.66 . . . . 0.0 111.362 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.28 -15.24 62.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.928 0.491 . . . . 0.0 111.039 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -64.67 -37.31 87.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.633 0.773 . . . . 0.0 111.338 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 62' ' ' GLU . 10.2 pt -69.86 -9.23 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 120.552 0.215 . . . . 0.0 111.117 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -109.47 108.82 19.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 166.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -68.37 -12.64 61.43 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.825 0.85 . . . . 0.0 111.796 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -62.99 -31.92 73.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.98 0.912 . . . . 0.0 111.091 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.623 ' HB3' HD22 ' A' ' 73' ' ' LEU . 1.2 m-85 -80.39 -55.24 5.03 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.96 163.71 36.24 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.897 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.83 93.16 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.98 0.912 . . . . 0.0 112.99 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.16 -43.53 82.02 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.356 0.662 . . . . 0.0 111.082 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.1 tt -72.27 -37.86 68.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 t -59.46 -39.86 85.01 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.824 0.85 . . . . 0.0 110.372 174.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.06 -42.46 80.46 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.397 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 mmt -57.61 -53.22 60.59 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.321 0.648 . . . . 0.0 110.752 176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.42 HD12 ' HZ3' ' A' ' 28' ' ' TRP . 8.0 mp -60.01 -41.51 92.31 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.805 0.842 . . . . 0.0 111.886 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.74 -47.0 73.64 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.302 0.572 . . . . 0.0 110.945 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 49.5 mt-10 -68.76 -43.42 75.85 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.16 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -66.17 -35.73 81.22 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.416 0.687 . . . . 0.0 111.757 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.7 tm? -62.97 -44.24 96.6 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.31 -32.78 72.64 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.041 0.936 . . . . 0.0 111.181 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.5 mm-40 -75.55 -32.02 60.28 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.302 0.501 . . . . 0.0 110.101 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -65.71 -30.65 71.35 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.488 0.715 . . . . 0.0 110.502 173.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 73.5 mt -79.41 -51.84 8.86 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.683 0.393 . . . . 0.0 110.648 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.98 69.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.978 0.911 . . . . 0.0 111.863 -171.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.0 t -91.66 -29.9 16.61 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.432 0.693 . . . . 0.0 110.927 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.97 -113.66 3.83 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.9 26.32 0.12 Allowed Glycine 0 C--N 1.342 0.865 0 O-C-N 123.648 0.264 . . . . 0.0 112.497 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 C--O 1.25 1.1 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.569 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.05 134.05 26.47 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.299 1.999 . . . . 0.0 111.416 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.8 tp -147.93 77.24 10.24 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 122.828 0.451 . . . . 0.0 110.548 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.95 123.51 3.2 Favored 'Trans proline' 0 C--N 1.369 1.646 0 C-N-CA 122.597 2.198 . . . . 0.0 109.9 167.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.02 107.06 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-O 121.666 0.746 . . . . 0.0 110.342 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.8 p -109.48 93.07 12.95 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 124.162 0.985 . . . . 0.0 109.04 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HG2' ' HD2' ' A' ' 58' ' ' ARG . 56.5 Cg_endo -92.05 46.58 0.48 Allowed 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 123.34 2.693 . . . . 0.0 111.369 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 59.87 78.61 0.33 Allowed Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.932 1.293 . . . . 0.0 110.279 -169.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -67.4 -31.81 33.73 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.755 2.303 . . . . 0.0 113.46 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.1 mt 73.39 -35.52 0.32 Allowed 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.881 1.673 . . . . 0.0 112.573 -171.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.46 -21.3 66.63 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.802 0.841 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.64 -56.65 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.138 0.426 . . . . 0.0 109.986 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -62.28 -38.52 89.66 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 48.2 m0 -67.2 -47.97 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.143 0.577 . . . . 0.0 111.783 -177.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD21 HD11 ' A' ' 77' ' ' LEU . 87.2 mt -64.08 -28.71 69.97 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.728 0.411 . . . . 0.0 111.227 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.4 m -72.63 -47.2 49.57 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.064 0.545 . . . . 0.0 111.503 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 11.6 pt-20 -72.83 -35.31 67.25 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.508 0.323 . . . . 0.0 111.281 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 41.3 m0 -74.71 -30.69 61.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.217 0.607 . . . . 0.0 110.491 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -61.55 -43.05 99.57 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.714 0.806 . . . . 0.0 109.961 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.28 -37.44 80.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.462 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 82.4 mt-10 -63.86 -40.35 96.37 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.582 0.706 . . . . 0.0 109.98 172.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . . . -68.7 -20.21 64.4 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.874 -0.517 . . . . 0.0 111.872 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.72 -35.71 22.31 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.395 0.678 . . . . 0.0 111.737 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 p -100.06 -56.29 2.41 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.332 0.653 . . . . 0.0 112.758 -171.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.1 -40.91 91.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.208 1.003 . . . . 0.0 110.504 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.07 35.83 4.66 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.873 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -70.33 -25.55 63.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.55 0.74 . . . . 0.0 109.91 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.2 m170 73.38 -18.72 0.36 Allowed 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 125.788 1.635 . . . . 0.0 113.285 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 p -75.31 11.16 1.28 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.435 1.094 . . . . 0.0 112.616 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.522 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 28.0 ptt180 -59.56 -23.2 62.69 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.759 0.824 . . . . 0.0 112.033 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -75.61 -41.96 53.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.565 0.746 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -77.15 -35.34 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 117.763 0.256 . . . . 0.0 110.933 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -64.67 -31.9 73.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.105 0.562 . . . . 0.0 109.869 172.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.13 -53.19 32.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.189 0.596 . . . . 0.0 110.298 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -63.65 -41.63 98.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.022 0.529 . . . . 0.0 111.818 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.4 91.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.59 0.756 . . . . 0.0 110.549 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.36 -51.05 56.95 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.948 0.899 . . . . 0.0 111.278 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 24.6 mmt180 -63.92 -44.89 91.55 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.004 0.922 . . . . 0.0 110.164 -175.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 90.5 p -62.68 -40.54 97.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.717 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.3 tt -60.23 -41.85 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.056 0.942 . . . . 0.0 109.593 177.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -70.57 -21.41 62.69 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.526 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' ARG . 62.8 mtp180 -102.43 -5.79 23.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.299 0.64 . . . . 0.0 111.001 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.4 t80 -97.53 112.33 60.98 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.798 0.839 . . . . 0.0 108.765 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.63 33.72 0.47 Allowed 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 123.014 2.476 . . . . 0.0 113.001 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.85 145.7 32.92 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.862 0.865 . . . . 0.0 108.98 172.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -74.17 92.24 0.92 Allowed 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.855 2.37 . . . . 0.0 112.152 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.717 HD12 ' HG ' ' A' ' 50' ' ' LEU . 42.2 mt -89.52 72.84 7.86 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HD2' ' HG2' ' A' ' 17' ' ' PRO . 76.2 mtp180 -97.64 -40.66 8.5 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 0.0 110.058 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -95.43 149.71 21.09 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.327 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.472 ' O ' ' SG ' ' A' ' 74' ' ' CYS . . . -60.89 -32.47 79.81 Favored Glycine 0 C--N 1.351 1.396 0 O-C-N 123.426 0.454 . . . . 0.0 112.578 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -49.5 -37.58 27.01 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.501 1.121 . . . . 0.0 111.868 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.513 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.5 mm-40 -83.8 -37.95 21.9 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.748 0.819 . . . . 0.0 111.068 -177.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.41 64.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.937 0.495 . . . . 0.0 111.59 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 35.1 ttpt -75.02 -19.7 59.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.298 1.039 . . . . 0.0 112.33 -175.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.0 pt -71.91 -20.05 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -94.12 135.64 35.27 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -85.22 -9.28 57.96 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.809 0.844 . . . . 0.0 110.833 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -58.56 -41.77 86.41 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.798 0.809 . . . . 0.0 109.351 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.88 -73.06 0.31 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.869 -1.514 . . . . 0.0 107.544 166.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.12 173.47 47.53 Favored Glycine 0 C--N 1.341 0.829 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -166.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.46 -41.31 84.87 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -76.8 -36.53 56.89 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.797 0.439 . . . . 0.0 111.97 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.29 -49.5 73.79 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 44.0 t -64.78 -26.13 68.22 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.764 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -62.17 -44.24 97.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.9 mmm -57.13 -48.38 78.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.818 0.447 . . . . 0.0 110.613 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 HD21 ' A' ' 25' ' ' LEU . 10.5 mp -62.69 -42.95 99.9 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.428 0.691 . . . . 0.0 112.693 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.3 -40.42 62.27 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.54 -172.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -59.35 -49.82 76.36 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.204 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.444 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.9 mmmt -63.86 -41.56 97.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.404 0.682 . . . . 0.0 112.079 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.2 tm? -58.88 -46.31 88.11 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -64.74 -34.96 79.57 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.591 1.156 . . . . 0.0 111.741 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -72.33 -34.39 68.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.014 0.526 . . . . 0.0 110.093 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -68.2 -38.56 82.11 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.222 1.009 . . . . 0.0 109.396 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 91.8 mt -66.84 -47.42 72.04 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.94 0.896 . . . . 0.0 110.724 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.66 -20.51 62.7 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.907 0.883 . . . . 0.0 112.12 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.2 t -87.29 -64.8 1.09 Allowed 'General case' 0 C--O 1.24 0.598 0 C-N-CA 123.24 0.616 . . . . 0.0 110.671 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.49 -50.09 3.99 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.137 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.92 -66.8 2.11 Favored Glycine 0 C--N 1.349 1.286 0 N-CA-C 111.74 -0.544 . . . . 0.0 111.74 175.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.249 1.037 0 C-N-CA 123.265 0.626 . . . . 0.0 109.526 173.834 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.99 90.01 0.87 Allowed 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.577 2.185 . . . . 0.0 110.226 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.0 mt -122.81 145.56 45.76 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 123.413 0.685 . . . . 0.0 110.238 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.9 93.51 0.21 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.968 2.446 . . . . 0.0 112.413 174.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.53 8.51 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.839 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.92 147.89 86.6 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 123.856 0.863 . . . . 0.0 110.447 173.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -79.75 -4.49 13.48 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 123.093 2.528 . . . . 0.0 113.862 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -75.3 -54.67 2.39 Favored Pre-proline 0 CA--C 1.563 1.446 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.397 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -80.23 84.05 2.1 Favored 'Trans proline' 0 C--N 1.394 2.929 0 C-N-CA 121.759 1.64 . . . . 0.0 111.642 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.44 -48.01 76.95 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.43 -175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 4.7 m-30 -60.05 -48.58 81.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.524 ' HB ' HD22 ' A' ' 50' ' ' LEU . 5.8 p -64.26 -46.88 92.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 123.347 0.404 . . . . 0.0 111.403 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.51 -29.9 69.44 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.43 0.292 . . . . 0.0 110.86 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 36.6 m0 -69.03 -47.06 66.35 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.555 0.534 . . . . 0.0 111.035 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.83 -28.48 69.88 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.316 0.246 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.5 m -71.63 -51.49 22.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.378 0.671 . . . . 0.0 110.783 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.8 pt-20 -72.33 -35.2 68.53 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.861 0.464 . . . . 0.0 111.192 -172.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -72.8 -35.34 67.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.042 0.537 . . . . 0.0 110.245 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -67.15 -35.45 79.73 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.152 0.581 . . . . 0.0 110.632 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.87 -35.63 67.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.461 0.704 . . . . 0.0 110.605 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.27 -29.47 65.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.603 0.761 . . . . 0.0 109.758 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 40' ' ' ARG . . . -74.92 -23.08 58.29 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.932 0.493 . . . . 0.0 111.414 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.29 -43.9 20.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.42 0.688 . . . . 0.0 110.08 172.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -77.52 -61.84 1.86 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 111.029 -174.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -73.52 -56.77 4.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.893 0.877 . . . . 0.0 109.762 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.99 73.51 0.56 Allowed Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.214 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.499 ' H ' ' HA ' ' A' ' 32' ' ' ALA . 39.8 mmt180 -92.62 146.32 23.75 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 175.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.37 -33.8 69.88 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.607 0.718 . . . . 0.0 109.89 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 p -76.51 10.09 2.32 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 114.658 -1.155 . . . . 0.0 113.589 -174.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.534 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 51.9 ttp180 -55.54 -39.04 70.06 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.64 0.776 . . . . 0.0 112.233 179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.56 -42.63 82.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.041 0.937 . . . . 0.0 111.398 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.449 HG13 HD23 ' A' ' 73' ' ' LEU . 7.9 p -76.1 -29.85 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.682 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.919 0.488 . . . . 0.0 109.946 172.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -64.34 -56.61 13.23 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.223 1.009 . . . . 0.0 111.286 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -68.84 -30.34 68.86 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.34 0.4 . . . . 0.0 111.547 -173.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.52 69.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.595 0.559 . . . . 0.0 110.725 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 46.0 tp -61.87 -49.39 76.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.192 0.597 . . . . 0.0 110.513 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -37.71 78.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.548 0.739 . . . . 0.0 109.669 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.616 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.3 tt -70.31 -37.01 74.66 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.503 0.721 . . . . 0.0 109.54 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.7 mm100 -61.04 -45.31 95.3 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.663 0.785 . . . . 0.0 111.276 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -82.33 -20.71 36.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.357 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 17.2 t80 -85.36 111.84 39.6 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 53' ' ' TYR . 7.7 Cg_exo -73.12 -23.45 18.14 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 123.078 2.518 . . . . 0.0 113.223 -172.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 2.1 tm? -65.88 115.91 27.37 Favored Pre-proline 0 CA--C 1.551 0.991 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -68.38 102.41 0.82 Allowed 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.928 2.419 . . . . 0.0 111.497 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.531 HD12 ' HG ' ' A' ' 50' ' ' LEU . 85.9 mt -72.22 101.01 2.72 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.359 0.664 . . . . 0.0 109.808 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -103.2 -39.65 6.76 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.314 1.046 . . . . 0.0 110.004 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -110.24 145.98 36.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.955 0.902 . . . . 0.0 109.272 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.82 -19.32 67.33 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 116.693 -0.23 . . . . 0.0 112.92 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -51.27 -48.25 62.25 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.662 1.185 . . . . 0.0 110.732 165.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 mt-10 -75.41 -38.27 59.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.738 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -69.53 -36.93 76.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.313 0.645 . . . . 0.0 112.384 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 6.4 ttpm? -71.31 -22.63 61.91 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.417 0.687 . . . . 0.0 112.271 -171.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.3 pt -63.65 -27.17 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.801 0.441 . . . . 0.0 111.618 -174.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.3 143.33 32.32 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.668 0.387 . . . . 0.0 110.503 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -86.73 36.54 0.72 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.711 1.204 . . . . 0.0 110.538 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -132.73 -30.37 1.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.454 1.102 . . . . 0.0 109.408 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.88 -78.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.3 -177.93 50.52 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-N 116.285 -0.416 . . . . 0.0 113.123 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -66.89 -45.98 76.34 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.557 0.743 . . . . 0.0 112.71 -172.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -61.43 -48.63 80.3 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.367 0.667 . . . . 0.0 111.201 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.449 HD23 HG13 ' A' ' 42' ' ' VAL . 2.2 tm? -62.75 -52.08 64.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.357 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 30.9 t -59.46 -33.61 71.51 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.141 0.901 . . . . 0.0 111.751 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.24 -44.73 87.27 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.394 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.5 mtp -70.04 -40.05 75.36 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.87 -51.46 22.21 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.675 1.19 . . . . 0.0 111.903 -172.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.685 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 37.8 t70 -75.93 -34.03 59.87 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.111 0.964 . . . . 0.0 112.827 -175.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.95 -44.63 80.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.857 0.463 . . . . 0.0 110.015 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -55.36 -46.82 76.45 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.663 171.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.432 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . 23.7 tp -53.31 -45.67 69.1 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.808 0.843 . . . . 0.0 110.648 175.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.88 -44.28 93.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.414 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -73.54 -33.45 64.72 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.896 0.478 . . . . 0.0 110.285 -174.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.78 -48.86 67.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.659 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.7 -18.33 48.24 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.65 0.78 . . . . 0.0 111.655 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.36 -36.42 63.59 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.859 0.464 . . . . 0.0 109.864 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.2 t -77.36 -61.63 1.92 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.661 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.04 -124.66 0.89 Allowed Glycine 0 C--N 1.347 1.187 0 CA-C-N 116.463 -0.335 . . . . 0.0 112.767 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.35 -173.28 25.82 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 117.068 0.434 . . . . 0.0 112.396 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.084 178.321 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.31 139.75 61.24 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 122.532 2.155 . . . . 0.0 109.836 166.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.94 98.23 0.17 Allowed Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 124.406 1.066 . . . . 0.0 112.099 -174.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' O ' ' HG3' ' A' ' 56' ' ' PRO . 83.6 Cg_endo -92.33 92.92 0.19 Allowed 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.652 2.235 . . . . 0.0 112.075 -167.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.78 101.81 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 171.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' HB3' ' HG3' ' A' ' 19' ' ' PRO . 52.9 t -55.33 136.97 68.93 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 124.186 0.929 . . . . 0.0 110.522 -178.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -46.65 -39.63 23.42 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 123.584 2.856 . . . . 0.0 113.079 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -147.33 95.78 4.3 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 124.489 1.116 . . . . 0.0 108.42 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HG3' ' HB3' ' A' ' 16' ' ' CYS . 7.2 Cg_exo -77.01 2.27 7.77 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 123.506 2.804 . . . . 0.0 113.376 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.2 mt 76.47 -53.58 0.59 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 126.187 1.795 . . . . 0.0 111.615 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -55.71 -38.99 70.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.081 1.352 . . . . 0.0 111.556 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.03 -40.1 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.267 0.627 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -65.07 -48.99 71.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.855 0.862 . . . . 0.0 109.242 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -67.86 -43.58 79.11 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 124.05 0.844 . . . . 0.0 111.04 -173.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 73' ' ' LEU . 95.4 mt -67.7 -30.19 69.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.85 0.46 . . . . 0.0 111.749 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -73.35 -51.24 18.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.645 0.378 . . . . 0.0 111.034 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.86 -37.14 81.46 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.493 0.317 . . . . 0.0 110.504 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -69.71 -36.39 75.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.095 0.558 . . . . 0.0 110.701 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.49 -39.75 95.27 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.408 0.683 . . . . 0.0 110.324 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.64 -42.13 78.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.003 0.921 . . . . 0.0 110.769 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.481 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 24.4 mm-40 -61.94 -46.08 90.88 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 123.196 0.598 . . . . 0.0 109.925 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.92 63.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.364 0.665 . . . . 0.0 111.495 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.96 42.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.005 0.522 . . . . 0.0 111.073 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -77.29 -47.22 20.62 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.384 0.674 . . . . 0.0 111.713 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 31' ' ' GLU . 3.3 mpt_? -77.15 -18.15 58.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.677 1.191 . . . . 0.0 110.461 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.73 43.37 7.79 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.287 0.367 . . . . 0.0 113.233 175.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 132.59 38.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.722 0.809 . . . . 0.0 109.834 172.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -66.42 -20.16 65.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.734 0.814 . . . . 0.0 111.004 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 p -64.16 -8.23 11.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.328 1.051 . . . . 0.0 113.292 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -50.58 -41.2 54.2 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.024 0.529 . . . . 0.0 111.41 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.54 -34.62 70.17 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 7.9 p -75.42 -32.16 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.718 0.69 . . . . 0.0 110.173 179.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -68.04 -37.18 81.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.979 0.512 . . . . 0.0 109.913 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -52.4 34.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.845 1.258 . . . . 0.0 110.876 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 18.2 ptpt -71.07 -35.26 71.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.734 0.413 . . . . 0.0 110.757 -174.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.64 89.1 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 123.174 0.59 . . . . 0.0 110.016 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.8 tp -59.6 -53.44 58.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.325 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -60.08 -43.47 95.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.896 0.878 . . . . 0.0 111.644 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 66.3 m -62.15 -38.61 89.64 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.806 0.691 . . . . 0.0 110.908 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HG ' HD12 ' A' ' 57' ' ' LEU . 4.8 tt -67.15 -42.99 83.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.969 0.908 . . . . 0.0 109.888 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 26.1 mm-40 -60.37 -38.14 82.95 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.193 0.597 . . . . 0.0 111.386 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -92.21 -15.13 27.96 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' SER . 17.3 t80 -72.98 127.53 89.34 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 122.669 0.388 . . . . 0.0 110.056 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.63 31.68 0.48 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 123.168 2.579 . . . . 0.0 114.583 -175.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -144.31 125.15 7.73 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 11.3 Cg_exo -69.67 103.65 1.18 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.762 2.308 . . . . 0.0 111.485 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.422 HD12 ' HG ' ' A' ' 50' ' ' LEU . 38.8 mt -72.88 99.43 2.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.351 0.596 . . . . 0.0 109.675 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -118.07 15.02 14.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 110.117 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -162.05 147.66 13.15 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.215 1.006 . . . . 0.0 109.253 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.507 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -67.29 -18.14 69.06 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.361 0.413 . . . . 0.0 112.951 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.31 -45.12 80.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.653 0.74 . . . . 0.0 110.288 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -83.77 -23.03 31.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.106 -174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.58 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . . . -86.37 -33.67 20.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.212 0.605 . . . . 0.0 112.026 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -71.22 -24.05 62.13 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.888 0.475 . . . . 0.0 112.134 -174.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 pt -63.86 -17.72 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 122.316 0.246 . . . . 0.0 111.034 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.67 121.4 38.47 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 170.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -82.48 -4.76 58.03 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -68.99 -27.37 65.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -79.35 -72.71 0.38 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 167.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.23 -169.02 49.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.473 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.32 -60.27 3.39 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.992 0.517 . . . . 0.0 111.723 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -57.48 -49.68 75.5 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.028 0.931 . . . . 0.0 111.289 -170.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD11 HD21 ' A' ' 25' ' ' LEU . 1.7 tm? -63.06 -55.67 23.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.85 -176.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 53.9 t -72.79 -29.29 63.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.926 -168.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -68.33 -44.55 75.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.285 0.634 . . . . 0.0 110.424 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtp -67.75 -38.43 83.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.475 0.31 . . . . 0.0 110.519 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -64.7 -35.17 80.17 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.458 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.507 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 33.6 t70 -75.1 -33.96 61.67 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.278 1.031 . . . . 0.0 111.169 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.27 -39.96 86.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.333 0.653 . . . . 0.0 110.617 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.84 -47.12 82.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.332 172.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.04 -37.31 76.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.582 0.753 . . . . 0.0 109.815 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -69.85 -41.51 74.79 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.736 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -31.81 65.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -175.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.99 -52.38 65.25 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.79 172.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 mt -71.82 -35.49 69.95 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.842 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.38 -61.21 1.79 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.828 0.451 . . . . 0.0 110.889 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.7 m -76.95 -32.13 57.09 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.86 0.464 . . . . 0.0 111.632 -175.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.27 0.03 58.48 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-O 119.812 -0.438 . . . . 0.0 113.222 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.0 -68.53 0.56 Allowed Glycine 0 C--N 1.343 0.945 0 CA-C-N 117.156 0.478 . . . . 0.0 111.941 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -177.668 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 CA--C 1.559 1.325 0 CA-C-O 121.793 0.806 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.409 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 16.9 m-30 -62.67 -34.64 77.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.033 1.333 . . . . 0.0 111.859 172.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -60.42 -54.61 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.037 0.535 . . . . 0.0 110.332 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -62.89 -35.0 78.6 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.701 0.626 . . . . 0.0 111.19 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -65.44 -46.66 79.05 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.141 0.276 . . . . 0.0 111.357 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 73' ' ' LEU . 93.5 mt -66.02 -30.48 71.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.871 0.468 . . . . 0.0 111.237 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.2 m -71.75 -48.94 43.43 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.393 0.677 . . . . 0.0 110.529 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.9 -35.3 67.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.829 0.452 . . . . 0.0 111.367 -174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -69.25 -43.5 73.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.766 0.426 . . . . 0.0 110.442 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' NH1' ' HB2' ' A' ' 44' ' ' GLN . 43.1 ttt85 -66.11 -36.66 83.76 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.074 0.549 . . . . 0.0 111.139 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.16 -48.72 67.16 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.477 0.711 . . . . 0.0 110.215 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -58.92 -40.96 86.15 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.995 172.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -27.22 67.45 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.583 0.753 . . . . 0.0 112.173 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.18 -31.24 58.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.245 0.618 . . . . 0.0 110.479 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -84.64 -34.86 22.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.637 0.775 . . . . 0.0 111.484 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.421 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . 82.5 mtt180 -92.72 -25.1 18.36 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.202 1.001 . . . . 0.0 111.483 -173.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.36 33.4 17.12 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.994 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 35' ' ' ARG . 19.2 mmm180 -77.92 134.17 37.95 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -74.51 -14.73 60.85 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.457 0.703 . . . . 0.0 111.729 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.0 p -73.86 -8.4 55.92 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.713 0.805 . . . . 0.0 112.021 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 -51.82 -36.4 47.81 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.706 1.203 . . . . 0.0 112.259 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -73.57 -40.49 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.343 1.057 . . . . 0.0 111.469 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.443 HG22 HD23 ' A' ' 73' ' ' LEU . 9.4 p -73.99 -32.6 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.636 0.255 . . . . 0.0 110.403 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -69.72 -30.92 68.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 110.271 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.1 tp60 -68.05 -57.91 5.36 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.88 0.472 . . . . 0.0 111.074 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -62.41 -29.12 70.26 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.847 0.459 . . . . 0.0 111.752 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -49.75 50.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.647 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 57.2 tp -62.76 -42.1 99.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.318 0.647 . . . . 0.0 111.279 -177.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 31.7 mmm180 -67.64 -39.16 84.64 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.511 0.725 . . . . 0.0 110.166 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -59.55 -42.99 93.62 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.661 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.71 -38.77 77.06 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.585 0.754 . . . . 0.0 109.906 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.414 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.6 mt-30 -67.31 -29.69 69.33 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.387 0.675 . . . . 0.0 111.647 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -94.22 -11.48 30.2 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.481 0.313 . . . . 0.0 111.432 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -94.39 119.44 66.44 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.164 0.585 . . . . 0.0 109.647 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.96 21.0 0.99 Allowed 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 123.235 2.624 . . . . 0.0 114.233 -173.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.411 HD12 HD23 ' A' ' 57' ' ' LEU . 2.7 tm? -114.86 123.37 32.09 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.38 100.03 1.19 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.386 2.058 . . . . 0.0 111.561 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD23 HD12 ' A' ' 55' ' ' LEU . 54.8 mt -63.15 111.53 2.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.09 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -96.48 -27.11 15.04 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.428 0.691 . . . . 0.0 109.906 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -126.77 156.9 40.47 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.295 1.038 . . . . 0.0 110.315 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.85 -22.02 73.57 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.299 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.11 -40.38 89.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.054 0.941 . . . . 0.0 110.506 172.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.62 -26.8 58.11 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.018 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -18.42 45.42 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.161 0.585 . . . . 0.0 111.287 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -65.18 -37.03 86.08 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.278 1.031 . . . . 0.0 111.446 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 pt -64.55 -25.97 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.254 0.621 . . . . 0.0 111.202 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt -87.72 103.08 15.27 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.214 1.006 . . . . 0.0 109.361 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.54 -19.6 63.7 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.182 0.993 . . . . 0.0 111.373 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.05 -36.66 82.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.621 0.768 . . . . 0.0 110.391 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -68.24 -66.56 0.55 Allowed 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.548 0.739 . . . . 0.0 109.322 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.44 155.42 31.89 Favored Glycine 0 C--N 1.343 0.962 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -171.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -60.61 -34.46 74.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -62.27 -46.11 90.26 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.152 0.581 . . . . 0.0 109.569 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.532 HD11 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -64.65 -49.91 69.16 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.386 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 35.4 m -58.41 -39.76 80.58 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.195 0.998 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.47 -45.97 81.62 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.769 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.0 mmt -61.32 -48.32 81.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.145 0.578 . . . . 0.0 110.744 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.32 -45.4 80.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.093 0.957 . . . . 0.0 112.305 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.58 -37.83 70.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.522 0.514 . . . . 0.0 110.834 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 23.1 mm-40 -62.74 -43.19 99.45 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.164 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -66.17 -42.65 88.65 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 123.144 0.577 . . . . 0.0 110.641 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.5 tm? -56.33 -42.85 78.33 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.39 -48.47 81.62 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.724 -1.126 . . . . 0.0 111.336 174.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 97.6 mt-30 -65.52 -41.5 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.103 0.561 . . . . 0.0 110.968 -174.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.52 -50.77 70.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.93 0.892 . . . . 0.0 110.564 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 58.5 mt -64.72 -32.28 73.89 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.951 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.823 0 C-N-CA 123.66 0.784 . . . . 0.0 112.016 -179.327 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.887 0.375 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -69.37 -36.51 76.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.496 0.718 . . . . 0.0 111.685 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.75 -52.12 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.732 0.413 . . . . 0.0 110.537 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -59.06 -40.01 83.84 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 123.546 0.528 . . . . 0.0 111.059 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -63.66 -49.32 73.65 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.524 0.515 . . . . 0.0 111.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.51 -28.98 69.58 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.717 0.235 . . . . 0.0 111.386 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 m -69.47 -52.48 26.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.508 0.723 . . . . 0.0 110.866 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.79 -41.41 65.02 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -65.87 -34.62 78.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.116 0.566 . . . . 0.0 110.431 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -61.21 -43.59 98.63 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.503 0.721 . . . . 0.0 110.753 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.86 -30.31 61.3 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.223 1.009 . . . . 0.0 111.264 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.37 -36.29 58.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.161 0.984 . . . . 0.0 109.393 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -75.46 -22.09 57.58 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.615 0.766 . . . . 0.0 110.872 175.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.34 64.1 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 170.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t -69.86 -32.79 71.36 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.137 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.588 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -92.97 -5.11 51.43 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 0.0 110.817 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.15 28.89 74.03 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 113.907 0.323 . . . . 0.0 113.907 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.588 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 30.3 mmm180 -78.01 150.67 33.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.173 0.989 . . . . 0.0 111.723 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -71.05 -19.93 62.43 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 p -71.07 -13.1 61.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.141 0.576 . . . . 0.0 112.498 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -54.32 -40.43 67.97 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.033 0.379 . . . . 0.0 110.63 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -63.44 -45.7 89.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.876 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.482 HG13 HD23 ' A' ' 73' ' ' LEU . 9.7 p -73.79 -32.11 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.075 0.15 . . . . 0.0 111.075 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -71.09 -32.46 69.1 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.933 0.493 . . . . 0.0 110.293 173.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.22 -55.0 13.83 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.644 0.778 . . . . 0.0 110.481 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.69 -32.11 71.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.009 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -45.51 80.92 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.194 0.598 . . . . 0.0 110.362 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 62.6 tp -60.34 -53.92 51.81 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.082 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.78 -30.45 69.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 111.127 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t -68.19 -38.1 81.64 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.131 175.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.4 tt -67.77 -39.31 84.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.497 0.719 . . . . 0.0 109.238 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 29.3 mm-40 -61.37 -42.8 99.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.524 0.73 . . . . 0.0 111.349 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -81.95 -22.6 36.6 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.639 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.3 t80 -72.48 128.03 89.19 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.503 0.721 . . . . 0.0 110.526 -171.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -72.41 -15.13 28.06 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.638 2.225 . . . . 0.0 113.292 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 24.0 tp -92.98 132.52 30.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 123.253 0.621 . . . . 0.0 109.345 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.22 99.78 1.2 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.364 2.042 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.442 HD12 ' HG ' ' A' ' 50' ' ' LEU . 92.4 mt -66.6 93.03 0.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.077 -175.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.63 -42.81 40.84 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.826 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.0 m -120.79 155.64 33.58 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.397 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -68.88 -18.56 72.64 Favored Glycine 0 C--N 1.346 1.084 0 O-C-N 123.349 0.406 . . . . 0.0 112.367 172.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.04 -43.8 74.08 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.14 0.976 . . . . 0.0 110.252 165.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -78.62 -29.97 46.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.923 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.504 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -80.67 -23.54 39.55 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.337 0.655 . . . . 0.0 112.581 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 38.6 ttpt -70.88 -22.34 62.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.24 0.616 . . . . 0.0 112.022 -173.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -66.57 -20.06 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 122.939 0.495 . . . . 0.0 111.421 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.16 131.52 37.34 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.289 0.635 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -78.83 -20.09 50.49 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.672 0.789 . . . . 0.0 111.332 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.64 -35.28 79.1 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.239 0.542 . . . . 0.0 110.065 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 15.8 m-85 -75.54 -76.53 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.5 174.55 40.17 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.385 -172.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.92 -57.4 12.79 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.928 0.891 . . . . 0.0 112.728 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -71.95 -28.92 63.77 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.593 0.757 . . . . 0.0 112.479 -172.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD23 HG13 ' A' ' 42' ' ' VAL . 2.0 tm? -62.29 -53.39 55.82 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 82.5 m -68.11 -25.19 65.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.484 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.0 mmm180 -60.35 -51.06 71.11 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.654 0.382 . . . . 0.0 110.264 169.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.42 -43.04 86.82 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.506 0.67 . . . . 0.0 109.991 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.68 -50.53 64.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.315 1.446 . . . . 0.0 111.796 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.723 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 26.1 t70 -74.93 -42.5 57.61 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.152 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.1 mm-40 -59.68 -41.0 89.69 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -56.98 -52.06 66.73 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.034 0.534 . . . . 0.0 111.15 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -54.91 -41.34 70.83 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.361 0.665 . . . . 0.0 111.413 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -67.26 -38.65 85.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.619 1.167 . . . . 0.0 110.247 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 48.7 mt-30 -73.85 -34.96 64.73 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.454 0.702 . . . . 0.0 109.76 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -65.19 -42.61 93.42 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.125 0.97 . . . . 0.0 110.452 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -78.35 -44.95 23.78 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.22 0.608 . . . . 0.0 111.446 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.258 0 C-N-CA 123.085 0.554 . . . . 0.0 111.374 -175.346 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 CA--C 1.555 1.168 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.472 0.578 . . . . 0.0 111.348 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.42 HG23 HE22 ' A' ' 51' ' ' GLN . 4.6 p -58.1 -49.88 80.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.1 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -73.94 -32.51 63.53 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.865 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 25.0 m0 -67.58 -43.8 79.68 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.684 0.615 . . . . 0.0 110.463 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.18 -30.56 71.48 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.421 0.288 . . . . 0.0 111.454 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.9 m -75.45 -47.32 27.77 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.77 0.428 . . . . 0.0 111.278 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.5 pt-20 -73.67 -31.31 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.042 0.537 . . . . 0.0 111.144 -174.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -79.22 -29.79 42.93 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.813 0.445 . . . . 0.0 110.525 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.86 -40.99 90.47 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.024 0.53 . . . . 0.0 109.806 166.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.51 -40.01 81.01 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.064 0.945 . . . . 0.0 110.398 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mm-40 -60.94 -37.81 83.63 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.263 1.025 . . . . 0.0 110.984 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -71.13 -36.63 72.17 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.444 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.35 61.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.366 0.667 . . . . 0.0 111.393 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -84.54 -42.8 15.13 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.889 0.876 . . . . 0.0 110.817 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -105.1 7.49 33.86 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.477 0.711 . . . . 0.0 112.463 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.53 30.13 75.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 123.539 0.524 . . . . 0.0 113.222 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.576 ' NH1' ' HB3' ' A' ' 31' ' ' GLU . 58.7 mtt180 -72.92 134.84 44.94 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.335 0.654 . . . . 0.0 110.324 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -64.19 -20.38 65.98 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.952 0.901 . . . . 0.0 111.273 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.9 p -64.17 -5.02 4.15 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.722 1.209 . . . . 0.0 113.444 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -49.93 -45.13 50.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.948 0.899 . . . . 0.0 111.391 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -72.11 -39.43 68.89 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.656 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.39 -31.47 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 117.597 0.181 . . . . 0.0 110.741 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.26 -31.2 62.46 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.541 0.336 . . . . 0.0 110.379 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -69.87 -49.79 48.81 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.477 0.485 . . . . 0.0 110.67 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.07 -30.47 68.8 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.228 0.33 . . . . 0.0 110.839 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.35 -45.21 60.87 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.254 0.621 . . . . 0.0 110.457 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 tp -63.78 -56.96 11.6 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.137 0.575 . . . . 0.0 110.175 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.54 -38.14 77.16 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.168 0.987 . . . . 0.0 111.224 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.1 t -59.04 -49.14 79.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.83 -35.64 80.59 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.349 1.059 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 21.9 mm-40 -67.77 -34.69 77.31 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.241 0.616 . . . . 0.0 111.932 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -94.21 -14.44 25.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.365 0.266 . . . . 0.0 111.299 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.6 t80 -77.31 119.72 78.6 Favored Pre-proline 0 N--CA 1.476 0.843 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -173.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.36 -2.3 12.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 122.941 2.428 . . . . 0.0 113.384 -172.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.17 142.81 33.9 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.37 -37.3 24.07 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 123.008 2.472 . . . . 0.0 113.052 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.1 mt 54.97 70.4 0.63 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.652 1.181 . . . . 0.0 110.597 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -84.94 -33.39 22.68 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.174 0.511 . . . . 0.0 110.772 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -103.41 152.24 21.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.62 -23.11 72.07 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -63.07 -37.82 88.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.523 1.129 . . . . 0.0 110.434 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' ILE . 49.5 mt-10 -72.75 -39.07 67.13 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.135 0.574 . . . . 0.0 110.673 175.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.74 -14.99 63.38 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.486 0.714 . . . . 0.0 111.702 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -69.33 -29.94 67.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.185 0.994 . . . . 0.0 112.059 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.0 pt -70.17 -8.53 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.72 114.36 28.54 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 123.184 0.594 . . . . 0.0 109.831 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -72.44 -17.5 61.78 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.822 0.849 . . . . 0.0 110.727 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -59.36 -33.05 70.69 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.478 0.711 . . . . 0.0 111.463 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.43 -70.8 0.3 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 172.02 18.29 Favored Glycine 0 N--CA 1.467 0.711 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.202 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.57 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 21.0 t70 -62.23 -60.76 3.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.921 0.488 . . . . 0.0 111.823 -175.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 76' ' ' MET . 96.4 mtt180 -65.39 -33.27 75.56 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.835 0.854 . . . . 0.0 111.228 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.403 HD13 HD13 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -63.13 -49.91 72.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.142 0.977 . . . . 0.0 109.607 179.468 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 76.2 m -61.39 -32.19 72.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -68.62 -40.81 80.18 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.757 0.661 . . . . 0.0 110.762 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 87.8 mtp -58.96 -48.21 82.33 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.702 0.401 . . . . 0.0 110.393 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 HD13 ' A' ' 73' ' ' LEU . 10.1 mp -68.36 -38.33 81.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.591 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.04 -49.89 58.64 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.224 0.61 . . . . 0.0 111.143 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.59 -50.83 69.72 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 124.086 0.867 . . . . 0.0 110.252 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -55.82 -45.54 78.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.182 0.593 . . . . 0.0 111.392 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.9 tm? -56.84 -49.0 76.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.549 0.74 . . . . 0.0 109.741 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.21 -41.28 92.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.43 1.092 . . . . 0.0 111.543 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.89 -29.18 58.37 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.648 0.779 . . . . 0.0 110.217 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.42 -33.96 67.5 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.996 0.918 . . . . 0.0 110.352 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 86.6 mt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.059 0.544 . . . . 0.0 110.085 176.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 123.348 0.659 . . . . 0.0 111.357 -176.372 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.66 -24.3 58.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 m -68.2 -42.3 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.777 0.717 . . . . 0.0 110.071 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -75.67 -34.6 60.47 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.045 0.538 . . . . 0.0 110.398 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -71.45 -42.88 67.63 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.683 0.614 . . . . 0.0 111.497 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD21 HD11 ' A' ' 77' ' ' LEU . 79.4 mt -68.27 -34.79 76.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 117.862 0.301 . . . . 0.0 110.809 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.5 m -63.07 -49.66 73.64 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.444 0.465 . . . . 0.0 111.196 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 13.0 pt-20 -69.34 -47.45 64.33 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.839 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -62.59 -36.74 83.68 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.963 0.505 . . . . 0.0 111.004 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -56.14 -56.21 23.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.889 0.743 . . . . 0.0 110.617 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -74.95 -28.69 60.69 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.468 -171.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 35.4 mm-40 -68.88 -49.71 55.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.339 0.656 . . . . 0.0 109.316 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.585 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -66.3 -28.75 68.93 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.398 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.72 72.79 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.582 0.753 . . . . 0.0 110.282 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -76.22 -18.51 59.01 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.269 0.628 . . . . 0.0 110.808 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -86.6 -24.66 25.3 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.429 0.692 . . . . 0.0 110.601 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.77 65.15 1.63 Allowed Glycine 0 C--N 1.353 1.475 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.585 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 15.7 mtp180 -130.94 139.79 50.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.034 0.934 . . . . 0.0 110.205 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -71.46 -20.03 62.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.074 0.549 . . . . 0.0 111.447 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 42' ' ' VAL . 17.4 p -68.0 -17.17 64.34 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.11 0.564 . . . . 0.0 112.401 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -61.47 -29.65 70.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.134 0.425 . . . . 0.0 109.99 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -72.68 -41.55 65.23 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.313 1.008 . . . . 0.0 110.923 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 39' ' ' THR . 5.8 p -71.63 -35.09 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 117.884 0.311 . . . . 0.0 110.475 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -73.07 -30.52 63.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.276 0.63 . . . . 0.0 110.243 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 43.6 tt0 -71.52 -53.13 14.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.696 0.798 . . . . 0.0 111.304 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.68 -36.95 85.12 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.503 0.502 . . . . 0.0 110.975 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.15 96.25 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.824 0.703 . . . . 0.0 109.745 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.474 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 65.6 tp -59.31 -50.47 73.88 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.805 . . . . 0.0 111.001 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 40.3 mmm-85 -65.12 -37.09 86.35 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.82 0.448 . . . . 0.0 110.687 -175.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 13.2 t -67.36 -34.88 78.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.162 177.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.14 -38.19 66.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.204 1.002 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 9.7 mm100 -75.9 -27.08 57.53 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.103 0.561 . . . . 0.0 111.634 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -86.8 -20.44 27.57 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.3 t80 -76.83 120.43 81.66 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.19 30.14 0.47 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 123.229 2.619 . . . . 0.0 113.305 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -130.01 113.94 17.47 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.4 97.17 0.25 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.117 2.544 . . . . 0.0 112.222 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD23 HD12 ' A' ' 55' ' ' LEU . 68.5 mt -74.91 100.91 4.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.738 0.815 . . . . 0.0 109.569 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -82.74 -22.33 34.44 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.001 0.92 . . . . 0.0 110.681 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.501 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.5 t -112.34 132.74 54.83 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.805 0.842 . . . . 0.0 109.35 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.62 -21.68 74.81 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.535 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.39 -39.93 81.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.611 1.165 . . . . 0.0 110.38 171.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 24.1 mm-40 -74.68 -19.88 60.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.489 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -80.57 -21.53 41.59 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.601 0.76 . . . . 0.0 111.455 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 38.2 ttpt -69.37 -24.12 63.84 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.618 0.767 . . . . 0.0 112.102 -175.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.1 pt -64.85 -21.3 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.347 . . . . 0.0 111.435 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mp -93.39 119.36 32.41 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.81 -15.15 63.39 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.76 0.824 . . . . 0.0 111.716 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -67.19 -23.66 65.78 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.713 0.805 . . . . 0.0 111.508 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -87.09 -74.09 0.45 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 167.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.55 178.06 35.43 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.328 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.61 -50.26 59.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.63 0.772 . . . . 0.0 112.424 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -63.93 -43.74 94.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.607 0.763 . . . . 0.0 110.897 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 77' ' ' LEU . 1.4 tm? -61.24 -49.05 78.68 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.155 0.909 . . . . 0.0 109.027 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 9.3 t -54.89 -41.85 71.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.425 1.09 . . . . 0.0 111.699 178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -71.06 -35.1 71.79 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.828 0.705 . . . . 0.0 111.045 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.7 mmm -60.74 -47.75 84.91 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.485 0.314 . . . . 0.0 110.298 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 73' ' ' LEU . 8.0 mp -66.1 -34.45 78.08 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.973 0.909 . . . . 0.0 111.266 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.48 -48.38 70.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.872 0.869 . . . . 0.0 110.388 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.7 mm-40 -59.38 -49.52 77.48 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.236 1.014 . . . . 0.0 110.703 177.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -61.71 -45.07 95.53 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.739 0.816 . . . . 0.0 112.072 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.73 -41.3 95.04 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -68.09 -34.1 75.77 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.031 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 55.9 mt-30 -70.13 -39.71 75.26 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -62.82 -45.91 90.43 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.178 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -77.65 -56.95 4.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.204 0.202 . . . . 0.0 111.506 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.267 0 C-N-CA 123.089 0.556 . . . . 0.0 112.06 -175.454 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 121.028 0.442 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.497 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 36.7 m-85 -63.02 -31.81 73.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.723 1.209 . . . . 0.0 110.394 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.2 t -66.68 -51.92 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.361 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -64.49 -34.18 77.62 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.527 -0.273 . . . . 0.0 111.19 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.78 -46.54 71.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.949 0.5 . . . . 0.0 110.679 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 73' ' ' LEU . 80.8 mt -69.45 -30.98 69.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -71.54 -46.48 59.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.792 0.437 . . . . 0.0 110.403 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.74 -36.58 67.76 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.671 0.388 . . . . 0.0 111.292 -174.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -65.17 -45.82 83.37 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.658 0.383 . . . . 0.0 110.119 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -59.05 -39.51 82.24 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.104 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.65 -42.54 61.24 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.571 0.748 . . . . 0.0 111.273 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.5 -43.51 89.9 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.014 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.83 -31.31 72.2 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.095 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.526 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -67.77 -39.51 84.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.28 0.632 . . . . 0.0 110.701 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -82.53 -24.3 34.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.151 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -99.64 -11.62 20.77 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.182 0.593 . . . . 0.0 111.473 -174.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.88 16.04 60.3 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -83.77 126.1 32.58 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.613 1.165 . . . . 0.0 109.947 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -62.03 -20.23 63.72 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.806 1.243 . . . . 0.0 113.619 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -66.7 -15.51 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.526 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 27.9 ptt180 -54.86 -31.6 59.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.117 0.567 . . . . 0.0 111.761 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -70.2 -43.46 70.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.487 0.715 . . . . 0.0 111.145 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.13 -36.72 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.46 -29.77 68.48 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.392 0.677 . . . . 0.0 110.623 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.39 -53.9 12.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.417 0.687 . . . . 0.0 110.874 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -67.17 -29.32 68.98 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.429 0.456 . . . . 0.0 110.959 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.31 75.0 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.708 0.803 . . . . 0.0 110.313 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.95 -41.96 99.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.073 0.949 . . . . 0.0 111.015 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -65.13 -47.35 77.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.669 0.788 . . . . 0.0 110.033 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 77.4 p -67.44 -30.77 70.59 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.215 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.78 -48.37 63.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.44 0.696 . . . . 0.0 109.671 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.6 -43.08 97.84 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.77 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.58 -24.04 49.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.1 t80 -71.81 122.48 87.37 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 122.867 0.467 . . . . 0.0 110.358 -174.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' TYR . 53.2 Cg_endo -91.15 19.15 1.15 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.568 2.845 . . . . 0.0 113.675 -170.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -100.14 154.32 37.28 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 123.23 0.612 . . . . 0.0 109.789 172.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -49.74 -50.58 12.8 Favored 'Trans proline' 0 C--N 1.389 2.685 0 C-N-CA 123.863 3.042 . . . . 0.0 114.44 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt 59.5 27.85 17.1 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.025 0.93 . . . . 0.0 111.472 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -77.75 -2.54 36.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.934 0.894 . . . . 0.0 111.85 -174.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -124.36 146.04 49.08 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.162 0.985 . . . . 0.0 108.555 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -69.44 -18.45 73.55 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 112.323 -0.311 . . . . 0.0 112.323 175.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -63.98 -33.09 74.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 111.177 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 65' ' ' ILE . 44.7 mt-10 -72.9 -17.82 61.47 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.311 0.645 . . . . 0.0 111.537 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.27 -17.36 60.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.454 0.702 . . . . 0.0 111.415 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 58.2 tptt -62.48 -41.56 98.87 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.469 1.108 . . . . 0.0 112.249 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 62' ' ' GLU . 32.5 pt -63.74 -23.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.856 0.462 . . . . 0.0 111.69 -174.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.32 110.32 21.61 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -69.39 -17.08 63.63 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.525 0.73 . . . . 0.0 111.104 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -55.72 -30.46 61.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.214 1.006 . . . . 0.0 111.357 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -79.38 -57.86 3.49 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 172.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.46 172.52 38.21 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.027 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.77 -52.1 66.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.483 0.713 . . . . 0.0 112.05 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.72 -46.73 81.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.303 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 25' ' ' LEU . 6.6 tt -68.64 -42.27 78.22 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 37.5 t -58.44 -35.29 71.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.825 0.45 . . . . 0.0 110.342 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -70.23 -41.68 73.27 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.762 0.664 . . . . 0.0 110.631 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.412 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 83.7 mmm -60.34 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.754 0.788 . . . . 0.0 109.554 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' HD2' ' A' ' 21' ' ' PHE . 10.5 tp -73.76 -32.97 64.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 113.793 -1.549 . . . . 0.0 110.757 -173.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.535 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 37.1 t70 -70.07 -39.4 75.64 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.57 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.0 mt-10 -65.59 -44.68 85.88 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.583 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 76' ' ' MET . 31.3 mmmt -61.85 -46.71 88.26 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.432 0.457 . . . . 0.0 111.042 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.29 -41.95 90.16 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.16 -36.6 84.58 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.299 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.6 mt-30 -70.24 -35.83 74.1 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.721 0.408 . . . . 0.0 110.138 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.59 -36.48 82.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.727 0.411 . . . . 0.0 111.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.47 -33.77 60.85 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.73 0.412 . . . . 0.0 110.462 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 124.16 0.984 . . . . 0.0 110.691 -178.62 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -52.67 -36.18 56.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.207 1.003 . . . . 0.0 112.444 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.21 -43.88 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 O-C-N 123.517 0.511 . . . . 0.0 111.441 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.17 -30.47 62.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.59 -47.18 70.46 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.17 0.988 . . . . 0.0 110.891 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 59.0 mt -65.24 -30.28 71.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.8 0.44 . . . . 0.0 111.246 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 m -71.95 -52.76 15.6 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.413 0.446 . . . . 0.0 110.699 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.29 -44.87 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.673 0.608 . . . . 0.0 110.782 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.464 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 36.0 m0 -73.91 -29.14 61.89 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.364 0.666 . . . . 0.0 111.776 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -58.45 -50.15 74.74 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -73.24 -32.73 64.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.458 0.703 . . . . 0.0 110.863 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -66.56 -37.99 86.13 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.37 0.668 . . . . 0.0 110.155 173.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -68.62 -34.41 75.71 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.68 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 40' ' ' ARG . . . -63.88 -52.21 61.01 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.666 0.604 . . . . 0.0 111.575 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -81.19 -44.75 17.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.55 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.93 67.51 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.716 0.407 . . . . 0.0 110.637 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.26 13.1 34.22 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 113.881 0.312 . . . . 0.0 113.881 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 30.4 mmt180 -67.87 132.39 47.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.944 0.498 . . . . 0.0 109.955 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -74.12 -4.26 34.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.778 0.831 . . . . 0.0 111.521 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -74.72 -0.6 18.62 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.187 0.995 . . . . 0.0 112.247 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.529 ' HD3' ' HB2' ' A' ' 33' ' ' ALA . 19.1 tpt180 -51.13 -41.91 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.994 0.918 . . . . 0.0 110.64 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -74.23 -42.26 60.01 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.486 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -75.1 -35.53 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 O-C-N 123.127 0.267 . . . . 0.0 110.743 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.39 -33.61 74.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.956 0.503 . . . . 0.0 110.358 174.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.19 -51.03 61.68 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.349 0.66 . . . . 0.0 111.1 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -74.44 -30.59 61.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.051 0.54 . . . . 0.0 111.546 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.07 68.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.207 0.603 . . . . 0.0 110.012 175.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.506 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 60.7 tp -60.95 -45.78 93.35 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.773 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -62.03 -42.12 98.83 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.728 0.643 . . . . 0.0 110.364 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 21.9 t -62.44 -39.65 94.03 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.507 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 tp -73.56 -36.84 65.68 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.803 0.841 . . . . 0.0 111.627 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.506 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.7 mt-30 -66.98 -35.43 79.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.448 0.699 . . . . 0.0 111.347 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.5 -22.73 24.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.357 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.2 t80 -74.89 116.44 53.94 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 122.619 0.368 . . . . 0.0 110.073 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -33.07 85.04 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 123.409 2.739 . . . . 0.0 113.949 -172.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.9 125.08 88.64 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 122.655 0.382 . . . . 0.0 110.339 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -72.86 90.7 0.83 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.926 2.418 . . . . 0.0 110.693 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' ' 63' ' ' ALA . 47.3 mt -70.4 95.52 1.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.926 0.891 . . . . 0.0 110.036 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -101.43 32.66 3.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.033 0.933 . . . . 0.0 110.673 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.507 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.1 t -158.67 146.49 18.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.215 1.406 . . . . 0.0 107.776 168.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -73.94 -22.97 77.38 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.42 -43.64 75.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.387 1.075 . . . . 0.0 110.352 165.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 43.3 mt-10 -72.98 -39.09 66.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.824 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.615 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -69.41 -17.08 63.62 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.366 0.666 . . . . 0.0 112.109 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.55 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 36.3 ttpt -76.12 -14.54 60.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.529 0.732 . . . . 0.0 112.252 -176.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.8 pt -67.56 -25.83 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-O 120.692 0.282 . . . . 0.0 110.688 176.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.8 114.81 24.77 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 109.015 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -73.45 -8.46 55.98 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.276 0.63 . . . . 0.0 112.594 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -64.35 -29.04 70.12 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.086 0.554 . . . . 0.0 111.082 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.26 -80.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.179 0.991 . . . . 0.0 109.425 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.89 13.63 Favored Glycine 0 C--N 1.343 0.933 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.0 -54.01 47.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.927 0.891 . . . . 0.0 111.227 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.23 -34.02 72.35 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.441 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 77' ' ' LEU . 1.3 tm? -62.37 -53.08 60.19 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 0.0 109.248 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 86.4 m -68.38 -26.75 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.825 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -64.17 -51.29 64.51 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.772 0.429 . . . . 0.0 110.217 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.3 mtp -61.03 -50.57 72.82 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.843 0.715 . . . . 0.0 110.349 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 73' ' ' LEU . 9.3 mp -55.83 -50.47 70.44 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.658 0.783 . . . . 0.0 112.695 176.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.465 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 24.8 t70 -65.36 -40.66 93.84 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.893 0.477 . . . . 0.0 110.508 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 40.1 mm-40 -59.06 -47.26 85.89 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 124.101 0.875 . . . . 0.0 110.704 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 29.1 mmmt -56.04 -48.14 76.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.254 0.622 . . . . 0.0 111.507 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.81 -47.28 87.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.613 0.571 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -62.06 -28.56 69.69 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.184 . . . . 0.0 111.559 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt-30 -75.62 -37.55 59.67 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.306 0.643 . . . . 0.0 109.671 175.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.616 0.766 . . . . 0.0 110.524 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.59 -29.29 27.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.73 0.812 . . . . 0.0 111.107 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.235 0 C-N-CA 122.914 0.486 . . . . 0.0 110.657 178.822 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.415 ' HD2' HD23 ' A' ' 77' ' ' LEU . 82.7 m-85 -66.78 -33.76 76.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.934 0.397 . . . . 0.0 111.407 -175.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.39 -55.72 17.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.093 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -65.52 -34.73 78.94 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.022 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m0 -68.76 -39.23 80.38 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 73' ' ' LEU . 64.9 mt -68.63 -30.96 69.79 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 174.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 m -71.4 -51.14 25.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.849 0.459 . . . . 0.0 110.796 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.24 -32.46 64.74 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.79 0.836 . . . . 0.0 111.312 -173.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 46.3 m0 -75.99 -30.49 58.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.685 0.394 . . . . 0.0 110.424 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -66.2 -37.29 85.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.237 0.615 . . . . 0.0 109.669 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.06 -41.59 77.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.289 1.035 . . . . 0.0 110.24 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.22 -32.9 72.47 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.975 0.91 . . . . 0.0 110.917 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.69 -22.15 43.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.93 0.492 . . . . 0.0 110.822 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.5 57.65 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.234 0.613 . . . . 0.0 110.148 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -80.18 -58.34 3.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 111.614 -171.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -33.48 73.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.991 0.917 . . . . 0.0 110.59 177.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.92 34.22 6.3 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.723 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -85.82 127.56 34.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -70.82 -10.28 59.23 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.796 . . . . 0.0 111.825 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 p -73.39 -3.42 27.19 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.987 0.915 . . . . 0.0 112.641 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -54.77 -35.23 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.405 0.682 . . . . 0.0 111.558 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.39 -50.11 74.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.01 -37.02 59.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 122.355 0.262 . . . . 0.0 110.594 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.15 -35.02 78.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.27 0.628 . . . . 0.0 111.131 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.82 -55.26 7.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.47 0.708 . . . . 0.0 110.508 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.64 -30.0 70.65 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.471 0.482 . . . . 0.0 111.393 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.43 60.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.472 0.709 . . . . 0.0 110.55 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 51.8 tp -57.72 -52.67 64.51 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.635 0.774 . . . . 0.0 110.712 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 9.9 mmm180 -63.58 -37.25 86.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.117 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -64.41 -40.87 96.61 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.238 0.615 . . . . 0.0 110.293 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.636 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.8 tt -67.03 -36.93 83.18 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.8 0.84 . . . . 0.0 109.798 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 14.0 mm100 -65.9 -34.42 78.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.562 0.745 . . . . 0.0 111.597 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 22.1 ptt85 -100.6 -3.07 31.22 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.971 0.508 . . . . 0.0 112.35 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 55' ' ' LEU . 42.5 t80 -86.01 119.04 71.49 Favored Pre-proline 0 N--CA 1.48 1.068 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.7 -24.67 47.4 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.264 2.642 . . . . 0.0 114.356 -170.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 6.6 mp -82.88 131.43 54.3 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -70.65 110.67 2.79 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.809 2.339 . . . . 0.0 109.537 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.636 HD12 ' HG ' ' A' ' 50' ' ' LEU . 93.4 mt -81.79 61.85 5.34 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.866 0.866 . . . . 0.0 111.508 -174.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -93.17 83.41 4.65 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.786 0.835 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 t -173.08 -52.74 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.864 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.35 -44.52 1.53 Allowed Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.205 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.59 -47.17 86.63 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.026 0.931 . . . . 0.0 110.631 171.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.84 -16.16 64.1 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.531 0.733 . . . . 0.0 112.461 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.76 -22.67 58.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.2 0.6 . . . . 0.0 111.601 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.739 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.0 ttpt -71.5 -28.21 63.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.821 . . . . 0.0 112.701 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.6 pt -64.73 -24.43 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 122.575 0.35 . . . . 0.0 111.339 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -89.21 116.6 27.57 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.66 -21.84 66.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.156 0.582 . . . . 0.0 112.055 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -55.01 -35.16 64.11 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.458 0.703 . . . . 0.0 111.519 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -79.11 -58.79 3.06 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 149.66 5.89 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.109 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.49 -33.14 20.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.26 1.024 . . . . 0.0 113.172 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -59.2 -56.88 16.5 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.575 0.75 . . . . 0.0 110.399 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.7 tt -71.8 -36.97 70.45 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.566 -174.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.739 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.2 m -63.52 -36.73 84.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.267 0.627 . . . . 0.0 111.049 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.91 -39.75 83.53 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.728 0.642 . . . . 0.0 110.602 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.69 -50.66 73.05 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 123.276 0.36 . . . . 0.0 111.056 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.415 HD23 ' HD2' ' A' ' 21' ' ' PHE . 10.5 mp -69.69 -34.54 74.08 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.516 0.726 . . . . 0.0 111.876 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.48 -43.6 80.57 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.4 0.68 . . . . 0.0 110.294 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 39.9 mt-10 -67.04 -41.84 85.87 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.047 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 30.7 mmmt -63.74 -41.27 98.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.291 0.236 . . . . 0.0 110.776 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.01 -39.28 94.28 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.77 -41.77 98.13 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.248 1.019 . . . . 0.0 110.711 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 96.2 mt-30 -75.11 -33.58 61.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.499 0.719 . . . . 0.0 110.25 -177.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -61.84 -44.08 97.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.46 1.104 . . . . 0.0 110.202 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.9 mt -80.86 -31.38 35.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.783 0.433 . . . . 0.0 111.204 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 C-N-CA 123.227 0.611 . . . . 0.0 110.899 179.837 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.465 0.174 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -60.39 -29.42 68.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.57 1.148 . . . . 0.0 112.382 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.3 t -65.16 -54.12 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -69.01 -30.65 69.09 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.094 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -70.17 -51.01 34.48 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 122.846 0.459 . . . . 0.0 110.817 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.646 HD21 HD11 ' A' ' 73' ' ' LEU . 79.7 mt -64.33 -27.44 69.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.407 . . . . 0.0 111.916 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.6 m -70.27 -49.42 50.01 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.825 0.45 . . . . 0.0 110.949 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.91 -33.74 68.53 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.825 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.403 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 48.8 m0 -70.6 -39.24 73.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.911 0.485 . . . . 0.0 110.158 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -60.94 -43.9 98.0 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.789 0.836 . . . . 0.0 110.575 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.71 -48.79 68.13 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.868 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.95 -32.16 72.4 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.121 0.968 . . . . 0.0 110.99 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.19 71.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.626 0.37 . . . . 0.0 110.571 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.23 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.05 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -80.07 -35.78 36.55 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.359 0.663 . . . . 0.0 111.779 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.58 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 3.9 tpt180 -92.09 -7.73 47.81 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.533 0.733 . . . . 0.0 110.749 -173.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.06 10.56 85.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 116.251 -0.432 . . . . 0.0 113.718 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.58 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 38.2 mmt180 -69.11 122.15 18.17 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -71.98 -3.49 23.03 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.369 0.668 . . . . 0.0 111.815 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 p -67.22 -8.34 30.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.664 0.785 . . . . 0.0 112.114 170.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -51.54 -39.07 57.05 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.087 0.555 . . . . 0.0 110.578 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -61.79 -50.13 73.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.326 1.016 . . . . 0.0 111.434 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.91 -34.41 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 122.147 0.179 . . . . 0.0 111.046 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -74.27 -33.37 63.24 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.034 0.533 . . . . 0.0 111.067 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.66 -46.04 48.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -72.27 -32.51 66.71 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 123.398 0.436 . . . . 0.0 110.744 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.32 -41.56 73.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.467 0.479 . . . . 0.0 110.449 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 62.7 tp -65.41 -44.69 86.66 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.914 0.486 . . . . 0.0 110.9 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -65.55 -37.82 87.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.889 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 70.0 m -63.28 -44.75 94.19 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.839 0.712 . . . . 0.0 110.544 173.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.52 -40.27 86.61 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.227 1.011 . . . . 0.0 111.597 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.66 -41.81 36.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.42 0.688 . . . . 0.0 111.793 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.25 -28.96 57.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.476 0.31 . . . . 0.0 111.588 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.4 t80 -76.47 119.77 78.8 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -176.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.31 -15.64 38.91 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.406 2.071 . . . . 0.0 112.745 -173.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 47.3 tp -76.06 120.75 83.03 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 109.58 176.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 55' ' ' LEU . 7.9 Cg_exo -72.64 98.92 1.0 Allowed 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 123.01 2.473 . . . . 0.0 110.743 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.26 81.47 6.51 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -89.65 -8.73 51.83 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.378 1.071 . . . . 0.0 110.463 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -121.0 134.38 55.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.503 1.121 . . . . 0.0 109.458 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.48 -22.29 69.43 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.224 -0.444 . . . . 0.0 113.132 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -65.88 -39.33 90.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 0.0 110.648 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' O ' HG12 ' A' ' 65' ' ' ILE . 28.9 mm-40 -72.85 -23.32 60.74 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.583 0.753 . . . . 0.0 111.034 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.61 -21.98 61.03 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.332 0.653 . . . . 0.0 111.741 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 48.8 tptt -64.98 -28.95 69.86 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.897 0.879 . . . . 0.0 112.186 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.5 pt -66.58 -17.03 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 117.747 0.249 . . . . 0.0 111.078 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -100.37 121.65 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -83.43 -7.73 59.51 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.508 0.723 . . . . 0.0 111.336 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -66.33 -31.88 72.95 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 73' ' ' LEU . 30.9 m-85 -75.21 -72.03 0.33 Allowed 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 166.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.45 173.89 50.01 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.69 -0.506 . . . . 0.0 112.7 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.46 -50.34 65.51 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.596 0.758 . . . . 0.0 112.824 -175.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -62.85 -46.36 88.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.837 0.711 . . . . 0.0 110.899 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.646 HD11 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -65.98 -54.21 29.06 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.7 m -62.16 -34.01 75.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.017 0.927 . . . . 0.0 112.293 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.3 tpt85 -72.79 -44.05 62.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 61.0 mtm -70.38 -34.88 73.1 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.401 0.438 . . . . 0.0 110.047 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 tp -62.34 -43.92 97.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 109.537 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.71 -40.9 92.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.793 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 22.9 mm-40 -67.35 -35.92 80.35 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.464 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 76' ' ' MET . 30.3 mmmt -67.63 -44.07 78.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.939 0.496 . . . . 0.0 110.142 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.4 tm? -62.02 -35.82 79.7 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.218 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.14 -39.83 93.58 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.318 1.047 . . . . 0.0 110.491 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 52.0 mt-30 -67.9 -36.3 79.97 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.718 0.407 . . . . 0.0 110.381 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.79 -48.07 78.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.199 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 77.6 mt -66.65 -44.89 80.67 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.426 0.454 . . . . 0.0 110.926 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.867 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.55 -173.667 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 CA--C 1.544 0.718 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -65.02 -40.0 94.22 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.36 -47.39 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 117.9 0.318 . . . . 0.0 111.094 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -66.56 -34.23 77.43 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.281 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.443 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.7 m0 -67.73 -43.45 79.94 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 123.788 0.68 . . . . 0.0 111.103 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -32.19 73.58 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.504 0.321 . . . . 0.0 110.716 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.405 HG23 HH21 ' A' ' 29' ' ' ARG . 29.3 m -73.35 -51.68 16.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.814 0.446 . . . . 0.0 111.167 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.7 pt-20 -72.67 -33.94 66.88 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.94 0.496 . . . . 0.0 111.473 -172.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -75.75 -31.07 59.41 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.066 0.546 . . . . 0.0 109.98 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.405 HH21 HG23 ' A' ' 26' ' ' THR . 64.4 ttp85 -68.0 -35.01 77.6 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.26 0.624 . . . . 0.0 110.647 171.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.27 -37.79 78.07 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.819 0.847 . . . . 0.0 109.981 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.64 -35.78 77.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.166 0.586 . . . . 0.0 109.963 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.45 -20.62 60.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 111.31 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.626 ' HA ' HH11 ' A' ' 40' ' ' ARG . . . -79.57 -50.19 11.07 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.178 0.591 . . . . 0.0 110.305 174.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -68.97 -48.15 63.86 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.054 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -72.19 -27.99 62.91 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.005 0.522 . . . . 0.0 111.239 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.88 37.8 12.58 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.721 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -76.02 142.59 41.8 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.717 0.807 . . . . 0.0 109.919 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -74.33 -11.96 60.4 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.173 0.589 . . . . 0.0 110.687 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -73.82 -7.57 52.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 112.641 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.626 HH11 ' HA ' ' A' ' 33' ' ' ALA . 42.2 ttp180 -55.54 -35.8 66.07 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.35 0.595 . . . . 0.0 110.874 174.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -71.07 -43.41 67.81 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.393 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.65 -32.61 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 122.502 0.321 . . . . 0.0 111.021 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -69.11 -33.97 74.33 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.06 0.544 . . . . 0.0 109.907 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.69 -50.64 56.57 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.486 0.714 . . . . 0.0 110.784 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -70.26 -31.3 68.62 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.003 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.74 69.04 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.962 0.505 . . . . 0.0 110.385 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.51 -50.67 57.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.017 0.527 . . . . 0.0 110.667 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -63.23 -43.13 98.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.361 0.664 . . . . 0.0 111.373 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 72.0 p -60.43 -40.73 92.13 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.516 0.51 . . . . 0.0 110.57 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.74 -34.57 77.1 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.812 0.845 . . . . 0.0 110.021 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -67.71 -35.95 79.74 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.511 0.724 . . . . 0.0 111.497 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -94.72 -6.96 41.96 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.141 0.275 . . . . 0.0 111.304 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.3 t80 -93.02 105.24 14.3 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.56 -0.88 9.45 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.991 2.46 . . . . 0.0 113.578 -170.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.07 125.44 77.22 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 109.946 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -73.94 97.07 0.96 Allowed 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 123.383 2.722 . . . . 0.0 110.534 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 mt -74.01 96.34 2.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 110.273 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -98.35 -21.15 16.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.869 0.868 . . . . 0.0 110.753 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.459 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.6 t -119.93 144.19 47.58 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.962 0.905 . . . . 0.0 109.604 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.47 62.7 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 123.24 0.338 . . . . 0.0 112.769 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -63.44 -41.36 98.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.605 1.162 . . . . 0.0 110.65 172.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 32.2 mt-10 -72.67 -27.91 62.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.508 0.723 . . . . 0.0 111.106 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.91 -29.83 55.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.392 0.677 . . . . 0.0 110.971 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 21.8 tptm -60.94 -33.32 73.0 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.682 1.193 . . . . 0.0 112.517 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.8 pt -70.2 -9.77 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.13 124.7 49.56 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.43 0.692 . . . . 0.0 109.273 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.51 -11.77 59.89 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.002 0.921 . . . . 0.0 112.19 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -64.24 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.826 0.451 . . . . 0.0 110.007 171.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 4.7 m-85 -83.41 -76.55 0.28 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.577 172.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.6 174.84 50.54 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-O 119.699 -0.501 . . . . 0.0 112.682 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.96 -45.49 67.76 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.565 0.746 . . . . 0.0 112.358 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -62.41 -52.99 61.39 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.936 0.894 . . . . 0.0 111.907 -174.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 77' ' ' LEU . 1.9 tm? -68.56 -45.9 70.9 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.052 0.941 . . . . 0.0 109.662 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 65.6 m -64.87 -30.64 71.65 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.776 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.66 -42.37 82.28 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.709 0.631 . . . . 0.0 110.022 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -59.66 -46.07 90.14 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.988 0.515 . . . . 0.0 110.617 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 73' ' ' LEU . 7.6 mp -62.77 -38.39 90.41 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.602 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.57 -48.36 64.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.262 1.025 . . . . 0.0 111.61 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 38.2 mm-40 -55.75 -53.18 59.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.247 1.019 . . . . 0.0 110.132 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -65.75 -36.43 83.54 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.397 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.5 -47.24 79.7 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -38.59 91.57 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.208 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 14.9 mm100 -72.03 -29.93 64.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.212 0.605 . . . . 0.0 111.171 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -77.23 -34.05 56.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.45 0.7 . . . . 0.0 109.961 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.41 -36.55 74.09 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.361 0.665 . . . . 0.0 110.45 173.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 123.794 0.838 . . . . 0.0 111.332 -177.828 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 38.6 tp . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -65.19 -21.16 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.533 . . . . 0.0 111.527 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.9 t -62.01 -55.7 22.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 122.992 0.517 . . . . 0.0 109.966 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 6.3 ptp180 -63.72 -36.05 82.58 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.265 0.353 . . . . 0.0 110.696 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -67.62 -51.89 44.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 123.706 0.802 . . . . 0.0 111.579 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.47 -28.8 70.21 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.43 0.292 . . . . 0.0 111.526 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -74.89 -44.98 45.86 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.899 0.479 . . . . 0.0 111.249 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.96 -38.83 69.7 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.602 0.361 . . . . 0.0 111.015 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HZ2' ' HE2' ' A' ' 80' ' ' LYS . 33.0 m0 -72.64 -34.38 67.24 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.935 0.494 . . . . 0.0 110.422 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -62.91 -39.45 94.57 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.437 0.695 . . . . 0.0 110.459 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.39 -42.09 72.17 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.82 0.7 . . . . 0.0 110.032 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.53 -37.18 86.65 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.105 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.46 -32.24 71.04 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.978 -0.451 . . . . 0.0 111.01 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.23 58.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.955 0.902 . . . . 0.0 111.548 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -97.51 -57.77 2.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.26 0.624 . . . . 0.0 111.265 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.41 -52.04 56.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.415 0.686 . . . . 0.0 110.554 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.45 68.35 0.26 Allowed Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.34 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -117.17 135.87 53.46 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -74.54 -4.07 34.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.336 0.654 . . . . 0.0 112.61 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.9 p -79.69 4.64 15.56 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.427 0.691 . . . . 0.0 111.388 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 tpt85 -51.18 -43.62 61.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.71 1.204 . . . . 0.0 111.757 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.65 -46.13 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 124.277 0.986 . . . . 0.0 111.193 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.93 -33.19 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.295 0.238 . . . . 0.0 111.287 -176.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -76.25 -29.86 57.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.133 0.573 . . . . 0.0 111.172 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.18 -48.64 75.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.89 0.476 . . . . 0.0 110.424 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -75.09 -34.87 61.8 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.553 0.533 . . . . 0.0 111.962 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.14 89.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.616 0.722 . . . . 0.0 110.098 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 55.3 tp -68.69 -40.42 80.07 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.571 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -58.36 -48.08 81.72 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.428 0.691 . . . . 0.0 110.438 -174.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.7 p -59.59 -48.26 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.435 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 57' ' ' LEU . 22.7 tp -62.89 -30.09 71.26 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 123.599 0.76 . . . . 0.0 112.299 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.9 mm100 -70.35 -41.65 72.88 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.662 0.385 . . . . 0.0 110.319 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 10.9 ptt180 -100.88 15.6 27.98 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.41 0.684 . . . . 0.0 111.941 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -130.0 93.96 32.4 Favored Pre-proline 0 N--CA 1.479 0.992 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 170.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.88 37.19 0.65 Allowed 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 123.718 2.946 . . . . 0.0 113.934 -170.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD12 HD23 ' A' ' 57' ' ' LEU . 2.1 tm? -83.56 130.36 56.34 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 173.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.439 ' HD2' HD22 ' A' ' 55' ' ' LEU . 55.9 Cg_endo -67.43 88.22 0.33 Allowed 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.322 2.015 . . . . 0.0 111.841 173.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.53 HD23 HD12 ' A' ' 55' ' ' LEU . 79.3 mt -74.14 104.19 4.85 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 171.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -99.92 -45.21 5.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.799 0.839 . . . . 0.0 109.76 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.61 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 37.3 t -90.28 144.77 25.53 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -64.41 -25.9 70.32 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.433 173.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -64.0 -33.1 74.96 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.492 0.717 . . . . 0.0 111.15 173.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 39.4 mt-10 -68.82 -28.32 66.64 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.616 0.366 . . . . 0.0 111.081 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -68.04 -15.12 63.46 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.292 0.637 . . . . 0.0 112.437 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.634 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 22.0 tptm -67.93 -26.26 65.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 0.0 112.199 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.2 pt -63.97 -24.85 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 -175.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.45 111.88 23.96 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 123.758 0.823 . . . . 0.0 108.93 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -77.07 -2.44 34.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.946 0.898 . . . . 0.0 112.112 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -70.63 -29.29 65.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -68.47 0.48 Allowed 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 167.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.71 172.19 34.62 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.499 -170.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.39 -42.5 87.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.378 0.671 . . . . 0.0 112.036 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -67.42 -44.82 77.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.552 0.741 . . . . 0.0 111.375 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.433 HD13 HD13 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -63.13 -44.95 94.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.876 0.871 . . . . 0.0 109.477 178.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 10.3 t -57.39 -39.64 76.52 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.516 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -70.46 -34.81 72.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.585 0.553 . . . . 0.0 110.912 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.55 -48.16 83.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.79 0.329 . . . . 0.0 110.485 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.433 HD13 HD13 ' A' ' 73' ' ' LEU . 9.4 mp -68.01 -30.09 69.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.746 0.818 . . . . 0.0 111.949 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.501 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 31.6 t70 -69.83 -45.63 67.4 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.826 0.85 . . . . 0.0 110.368 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 15.4 mm-40 -61.68 -52.95 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.104 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HE2' ' HZ2' ' A' ' 28' ' ' TRP . 29.3 mmmt -57.75 -41.98 83.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.611 0.764 . . . . 0.0 112.075 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.23 -48.13 83.06 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.831 0.452 . . . . 0.0 110.006 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -31.86 73.19 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.633 0.583 . . . . 0.0 111.235 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.4 mt-30 -73.79 -31.51 63.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.003 0.521 . . . . 0.0 110.239 178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.99 -34.11 68.66 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.867 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.58 -32.43 66.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.923 0.489 . . . . 0.0 109.943 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 123.603 0.761 . . . . 0.0 110.815 176.671 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 120.367 0.127 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -63.33 -44.24 95.49 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.229 1.012 . . . . 0.0 112.096 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.26 -45.77 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 123.407 0.442 . . . . 0.0 110.979 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -71.77 -30.59 65.72 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.916 0.486 . . . . 0.0 111.109 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -68.68 -45.15 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.036 0.534 . . . . 0.0 110.237 175.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 76.7 mt -66.06 -29.93 70.36 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 122.325 -0.234 . . . . 0.0 111.335 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.43 ' HA ' HD22 ' A' ' 47' ' ' LEU . 99.3 m -66.97 -49.81 64.25 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.434 0.694 . . . . 0.0 110.867 177.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -67.39 -46.96 71.71 Favored 'General case' 0 C--O 1.199 -1.553 0 O-C-N 123.77 0.669 . . . . 0.0 109.982 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -64.21 -35.44 80.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.291 0.636 . . . . 0.0 111.946 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.9 ttp85 -64.39 -51.31 63.9 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.618 0.723 . . . . 0.0 110.983 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -70.79 -41.33 71.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.464 -174.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.16 -34.31 77.78 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 124.503 1.121 . . . . 0.0 110.559 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.574 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -60.89 -41.32 95.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.09 70.18 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.722 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 m -78.2 -16.31 57.99 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.726 0.81 . . . . 0.0 113.172 -171.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -104.04 -37.8 7.21 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.459 0.704 . . . . 0.0 109.591 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.97 21.86 6.51 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.197 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 mpt_? -74.95 140.95 44.06 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.3 0.64 . . . . 0.0 109.951 172.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -79.78 -5.58 55.62 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.862 0.865 . . . . 0.0 111.002 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 p -75.12 8.59 2.5 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.166 0.986 . . . . 0.0 112.817 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -49.93 -50.34 46.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.905 1.282 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -72.97 -41.23 64.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.0 0.92 . . . . 0.0 111.466 -169.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.86 -40.52 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 122.923 0.489 . . . . 0.0 110.676 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.38 -28.81 61.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.821 0.448 . . . . 0.0 110.875 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -56.45 18.21 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.378 0.671 . . . . 0.0 109.848 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -70.89 -37.05 72.98 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.879 0.737 . . . . 0.0 112.137 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.35 71.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.177 0.591 . . . . 0.0 110.722 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.9 tp -62.49 -48.58 78.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.896 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -53.77 -41.47 67.2 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.288 0.993 . . . . 0.0 110.72 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 58.7 m -64.44 -47.04 80.57 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.367 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' HG ' HD12 ' A' ' 57' ' ' LEU . 4.3 tt -62.69 -35.63 80.32 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.165 0.586 . . . . 0.0 110.276 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.5 mm-40 -65.28 -38.62 90.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.013 0.925 . . . . 0.0 110.855 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -96.32 -2.41 45.88 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.085 0.554 . . . . 0.0 112.166 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.5 t80 -84.96 120.61 73.84 Favored Pre-proline 0 N--CA 1.481 1.089 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -175.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 55' ' ' LEU . 73.8 Cg_endo -73.78 -13.73 24.33 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.83 2.353 . . . . 0.0 113.143 -175.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 54' ' ' PRO . 6.4 mp -85.2 130.77 50.61 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -81.17 98.09 1.02 Allowed 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 122.952 2.435 . . . . 0.0 111.07 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD12 ' HG ' ' A' ' 50' ' ' LEU . 76.3 mt -74.16 96.87 2.82 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.225 -176.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -99.89 0.17 40.79 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.915 0.886 . . . . 0.0 110.494 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -142.55 148.33 37.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.419 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -69.94 -20.5 76.22 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.881 173.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.56 -36.31 73.71 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.485 1.114 . . . . 0.0 110.999 169.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.4 mt-10 -80.82 -33.78 34.46 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.782 0.833 . . . . 0.0 110.833 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.09 62.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.123 0.569 . . . . 0.0 111.093 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 64.2 tttp -56.41 -36.01 68.44 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.061 1.344 . . . . 0.0 112.827 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 62' ' ' GLU . 17.6 pt -66.21 -25.6 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.033 0.533 . . . . 0.0 111.588 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -84.14 115.73 22.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.99 -13.89 62.72 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.027 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -59.9 -33.49 71.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.327 1.051 . . . . 0.0 111.345 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.41 -66.85 0.86 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.525 1.13 . . . . 0.0 108.412 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.04 152.35 20.01 Favored Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -169.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.47 -49.92 75.58 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.25 0.62 . . . . 0.0 112.291 -177.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -62.15 -40.27 95.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.536 0.734 . . . . 0.0 110.62 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.45 HD13 HD13 ' A' ' 77' ' ' LEU . 2.0 tm? -58.57 -53.25 60.48 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 124.265 0.978 . . . . 0.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 60.9 m -66.72 -28.12 68.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.881 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -71.35 -35.89 71.33 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.835 0.71 . . . . 0.0 110.171 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 90.3 mmm -62.25 -48.13 81.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.83 0.452 . . . . 0.0 110.117 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.45 HD13 HD13 ' A' ' 73' ' ' LEU . 10.9 mp -60.6 -40.76 92.97 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.702 0.801 . . . . 0.0 112.177 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.427 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 16.3 t70 -70.49 -42.83 70.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.638 0.775 . . . . 0.0 110.091 -175.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.9 mm-40 -66.25 -37.57 85.81 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.944 -1.026 . . . . 0.0 111.141 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -62.32 -48.27 80.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 0.0 111.517 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.86 -41.13 86.3 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 121.573 0.701 . . . . 0.0 109.622 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.59 -38.62 91.82 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.828 1.251 . . . . 0.0 111.317 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.9 mt-30 -73.2 -32.6 64.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 123.865 0.866 . . . . 0.0 110.448 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -60.77 -42.81 98.23 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.421 1.088 . . . . 0.0 109.879 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.53 -38.51 48.6 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.491 0.717 . . . . 0.0 111.599 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.378 0 C-N-CA 123.726 0.811 . . . . 0.0 111.157 -176.362 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.63 -37.1 86.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.244 0.618 . . . . 0.0 112.195 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.0 m -67.55 -45.68 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 117.839 0.29 . . . . 0.0 110.992 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -68.38 -32.6 72.8 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.486 0.184 . . . . 0.0 110.752 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -66.74 -50.07 63.94 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.249 0.62 . . . . 0.0 110.61 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.18 -30.02 71.1 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.789 0.436 . . . . 0.0 111.417 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.8 m -70.0 -49.97 46.21 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.487 0.715 . . . . 0.0 111.104 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.13 -40.45 68.07 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 -174.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.461 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 39.7 m0 -64.59 -36.33 83.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.806 0.442 . . . . 0.0 110.69 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -56.15 -58.79 6.47 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.89 0.876 . . . . 0.0 110.957 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -79.05 -36.02 41.66 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.322 -168.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.012 0.525 . . . . 0.0 111.288 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -63.2 -48.41 78.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.729 0.412 . . . . 0.0 110.063 175.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB2' ' HD2' ' A' ' 40' ' ' ARG . . . -61.44 -39.39 90.64 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.196 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 t -69.87 -30.15 67.55 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.267 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -85.27 -26.87 26.37 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.697 0.799 . . . . 0.0 110.685 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.73 -24.21 5.52 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.11 0.386 . . . . 0.0 112.805 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 31.7 mmt180 -58.88 134.92 57.34 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.874 0.869 . . . . 0.0 111.58 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -88.03 8.84 24.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.424 0.69 . . . . 0.0 110.312 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -69.53 -2.24 10.84 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.53 0.732 . . . . 0.0 111.623 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HD2' ' HB2' ' A' ' 33' ' ' ALA . 45.2 ttt180 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 123.088 0.555 . . . . 0.0 110.4 171.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -69.67 -35.93 75.57 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.142 -172.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.39 -37.57 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 117.864 0.302 . . . . 0.0 110.492 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -69.72 -29.31 66.67 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.376 0.67 . . . . 0.0 110.424 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.31 -54.99 18.22 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.41 1.084 . . . . 0.0 110.834 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -72.7 -28.46 62.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.806 0.442 . . . . 0.0 111.529 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.26 93.75 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.281 0.632 . . . . 0.0 109.938 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.36 -50.04 69.28 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.557 -1.202 . . . . 0.0 111.105 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.6 mmp_? -58.79 -39.29 80.65 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.854 0.862 . . . . 0.0 111.049 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 32.3 t -65.67 -45.46 82.79 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.359 176.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 57' ' ' LEU . 45.0 tp -63.79 -39.14 93.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.941 0.896 . . . . 0.0 111.647 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -67.36 -41.57 84.89 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.478 0.711 . . . . 0.0 110.911 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -81.48 -20.82 39.38 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.636 0.374 . . . . 0.0 111.271 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 7.8 t80 -76.2 117.19 62.36 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.587 0.755 . . . . 0.0 110.047 -172.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -76.33 -17.55 16.63 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.978 2.452 . . . . 0.0 113.001 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 1.9 tm? -76.32 119.82 78.98 Favored Pre-proline 0 CA--C 1.554 1.131 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.18 101.93 1.18 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.607 2.205 . . . . 0.0 112.014 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 50' ' ' LEU . 91.4 mt -77.06 101.7 6.18 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -84.27 -22.7 30.66 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.523 1.129 . . . . 0.0 110.413 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.8 m -136.71 158.61 44.04 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.187 0.995 . . . . 0.0 110.582 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.45 -16.48 79.97 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.999 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.2 -34.65 75.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.608 1.163 . . . . 0.0 110.519 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 65' ' ' ILE . 46.3 mt-10 -83.25 -26.78 30.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.258 0.623 . . . . 0.0 110.058 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.78 60.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.959 0.503 . . . . 0.0 111.569 173.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 56.0 tttp -62.62 -32.73 73.8 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.427 1.091 . . . . 0.0 111.389 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.4 pt -69.58 -11.79 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 122.687 0.395 . . . . 0.0 111.332 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mp -104.68 113.5 27.12 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.413 0.685 . . . . 0.0 109.647 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.61 -9.65 58.57 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.039 0.935 . . . . 0.0 111.111 173.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -57.67 -39.78 77.87 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.31 1.044 . . . . 0.0 110.581 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.498 ' HB3' HD22 ' A' ' 73' ' ' LEU . 3.1 m-85 -76.33 -54.39 6.84 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.58 145.38 18.93 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.211 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -50.31 -39.41 45.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.04 1.336 . . . . 0.0 113.408 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' NH2' ' HG3' ' A' ' 75' ' ' ARG . 5.1 mmp_? -73.43 -40.18 64.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.02 0.528 . . . . 0.0 111.455 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 69' ' ' PHE . 6.8 tt -69.56 -37.37 76.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.116 0.566 . . . . 0.0 109.719 178.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 71.9 m -63.19 -36.23 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.211 1.004 . . . . 0.0 110.051 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.426 ' HG3' ' NH2' ' A' ' 72' ' ' ARG . 20.4 mmt180 -67.14 -46.72 73.23 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.712 172.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.7 mmm -59.98 -39.81 86.98 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.256 0.551 . . . . 0.0 110.01 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.29 -45.13 70.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.094 1.358 . . . . 0.0 110.796 -174.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.63 -35.09 62.88 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 41.6 mt-10 -68.46 -38.86 81.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.81 0.844 . . . . 0.0 110.831 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.1 mmmt -64.38 -44.85 90.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.091 0.556 . . . . 0.0 110.949 173.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.8 tm? -61.56 -35.2 77.11 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -67.48 -40.9 85.28 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.5 mt-30 -65.48 -34.81 79.15 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.124 0.569 . . . . 0.0 109.873 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -59.67 -49.22 78.59 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 109.999 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 75.0 mt -72.67 -21.88 61.0 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.344 0.658 . . . . 0.0 112.077 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 C-N-CA 122.929 0.491 . . . . 0.0 111.054 -173.473 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.323 0.583 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -72.05 -21.13 61.57 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.158 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.22 -39.65 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 118.016 0.371 . . . . 0.0 110.29 -178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -74.06 -36.49 64.34 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -65.18 -42.33 93.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.874 0.734 . . . . 0.0 111.296 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 77' ' ' LEU . 73.0 mt -73.07 -30.88 64.01 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.484 0.314 . . . . 0.0 111.388 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.5 m -66.88 -47.72 70.98 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.164 0.29 . . . . 0.0 110.692 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.52 -43.89 68.7 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 123.514 0.509 . . . . 0.0 110.52 -175.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -65.18 -30.94 71.89 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 118.204 0.456 . . . . 0.0 111.613 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -68.59 -46.23 69.9 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.783 0.833 . . . . 0.0 110.96 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.36 -40.21 77.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.779 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -68.62 -35.41 77.27 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 124.067 0.947 . . . . 0.0 109.545 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.65 72.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.081 0.552 . . . . 0.0 111.132 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.78 63.06 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.002 0.43 . . . . 0.0 110.508 172.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -74.14 -21.73 59.74 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.619 0.768 . . . . 0.0 112.428 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -109.53 -1.61 18.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.587 0.755 . . . . 0.0 111.136 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.17 14.77 81.57 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.223 0.449 . . . . 0.0 114.223 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -67.6 135.47 52.95 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.775 0.83 . . . . 0.0 110.554 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -80.06 -9.39 59.69 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.308 0.643 . . . . 0.0 112.037 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -79.5 5.13 13.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.798 0.839 . . . . 0.0 112.781 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.5 -40.98 75.9 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.013 0.525 . . . . 0.0 112.167 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.77 -35.03 67.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 8.6 p -76.68 -32.06 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 122.489 0.316 . . . . 0.0 110.265 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.79 -33.17 72.0 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.844 0.458 . . . . 0.0 110.529 171.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -52.11 32.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.604 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 19.3 ptpt -71.48 -30.21 65.72 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.36 0.413 . . . . 0.0 111.442 -175.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.44 76.1 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.013 0.525 . . . . 0.0 109.918 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 54.6 tp -58.32 -50.76 72.49 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.819 173.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -60.59 -38.11 83.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.379 1.072 . . . . 0.0 110.615 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 t -69.14 -34.91 75.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.933 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.663 ' HG ' HD12 ' A' ' 57' ' ' LEU . 6.7 tt -73.24 -41.48 63.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.449 0.7 . . . . 0.0 109.565 178.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 57.6 mt-30 -61.87 -35.2 77.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.924 0.89 . . . . 0.0 111.578 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -85.68 -35.17 21.04 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 122.803 0.441 . . . . 0.0 111.81 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -72.83 118.19 66.09 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.274 0.63 . . . . 0.0 109.635 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.99 43.75 1.44 Allowed 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.844 2.363 . . . . 0.0 112.871 -173.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.7 tp -122.81 127.56 25.7 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 123.296 0.638 . . . . 0.0 109.781 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.55 89.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.559 2.839 . . . . 0.0 112.576 170.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.663 HD12 ' HG ' ' A' ' 50' ' ' LEU . 95.7 mt -82.47 91.29 6.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.183 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.03 -26.76 10.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.259 0.624 . . . . 0.0 109.864 169.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 m -86.0 123.91 31.85 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -65.48 -23.95 70.61 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 123.429 0.456 . . . . 0.0 113.781 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -58.85 -32.3 69.31 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.515 1.126 . . . . 0.0 111.451 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.28 6.8 35.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.551 0.74 . . . . 0.0 112.452 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.45 25.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 122.525 0.33 . . . . 0.0 110.851 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 34.7 ttpt -71.79 -15.68 62.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -173.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 pt -66.75 -19.33 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 122.492 0.317 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . 2.8 mp -97.46 141.0 31.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.27 0.628 . . . . 0.0 109.357 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -66.86 -28.08 68.05 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.098 0.959 . . . . 0.0 113.132 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -72.39 -21.21 61.31 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 7.4 m-85 -84.1 -81.62 0.17 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.99 179.93 41.38 Favored Glycine 0 N--CA 1.473 1.143 0 CA-C-O 120.093 -0.282 . . . . 0.0 112.408 -174.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.81 -48.05 80.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.76 0.824 . . . . 0.0 112.934 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.5 -46.22 83.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.285 0.634 . . . . 0.0 110.778 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -50.45 62.15 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.717 -176.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 38.8 t -61.28 -34.06 74.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.623 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.53 -34.96 75.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.711 0.632 . . . . 0.0 110.21 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.16 -52.05 67.35 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.715 0.406 . . . . 0.0 110.2 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 25' ' ' LEU . 10.2 mp -62.91 -39.18 93.75 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.229 0.611 . . . . 0.0 111.949 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.473 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 25.7 t70 -74.72 -41.07 60.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 0.0 111.381 -174.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.5 mm-40 -64.4 -51.75 61.69 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.131 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -60.15 -42.56 95.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.991 0.517 . . . . 0.0 111.477 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.87 -39.57 94.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.034 0.534 . . . . 0.0 109.881 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -61.52 -39.69 91.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.585 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mm-40 -76.09 -35.62 59.28 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.488 0.315 . . . . 0.0 110.473 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -52.7 -50.63 62.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.963 1.305 . . . . 0.0 110.255 173.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.77 -50.3 65.26 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.265 176.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -174.268 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 121.297 0.57 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 50' ' ' LEU . 18.7 m-30 -70.26 -21.13 63.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.005 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.28 -43.9 91.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -73.0 -34.91 66.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 122.562 0.345 . . . . 0.0 110.112 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -71.61 -34.72 70.1 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 123.747 0.654 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.609 HD21 HD21 ' A' ' 73' ' ' LEU . 71.4 mt -76.48 -28.27 56.41 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.583 0.353 . . . . 0.0 111.717 174.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.5 m -69.55 -49.46 54.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.849 0.459 . . . . 0.0 110.407 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.03 -38.87 83.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.499 0.319 . . . . 0.0 110.949 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -68.31 -40.29 81.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.066 0.546 . . . . 0.0 111.099 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HG2' ' NH1' ' A' ' 40' ' ' ARG . 19.9 ttp85 -62.41 -37.36 85.52 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 109.999 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -46.44 72.92 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.648 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.51 -35.27 79.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.576 0.75 . . . . 0.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.48 56.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.875 0.87 . . . . 0.0 111.206 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB2' ' NH1' ' A' ' 40' ' ' ARG . . . -75.67 -58.92 3.0 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 171.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.5 m -61.57 -46.67 88.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.406 1.082 . . . . 0.0 112.052 -172.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -81.54 -18.21 45.77 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.855 0.862 . . . . 0.0 110.59 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.92 82.1 0.45 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.64 144.24 50.97 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.03 0.932 . . . . 0.0 109.001 -174.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -61.29 -31.54 71.38 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.055 0.455 . . . . 0.0 110.44 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 p -67.97 -5.2 15.94 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.508 1.123 . . . . 0.0 113.545 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' NH1' ' HG2' ' A' ' 29' ' ' ARG . 20.4 tpt180 -51.01 -45.41 61.22 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.594 0.758 . . . . 0.0 111.125 173.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -73.06 -36.74 66.93 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.946 -174.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.46 -39.21 47.8 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 CA-C-N 117.509 0.14 . . . . 0.0 110.777 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.6 -33.15 73.55 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.844 0.457 . . . . 0.0 110.408 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -63.73 -56.28 16.82 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.96 0.904 . . . . 0.0 110.784 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -71.33 -29.39 64.95 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.604 0.565 . . . . 0.0 111.663 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.061 0.545 . . . . 0.0 110.361 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.7 tp -64.03 -42.52 97.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.483 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -63.89 -40.15 95.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.063 0.545 . . . . 0.0 111.231 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 69.9 m -65.11 -37.54 87.79 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.412 0.685 . . . . 0.0 110.842 176.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.642 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.5 tt -68.18 -39.79 82.42 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.529 0.732 . . . . 0.0 109.487 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.68 -44.83 92.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.556 0.742 . . . . 0.0 111.24 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -77.95 -17.66 56.94 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.574 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 49' ' ' SER . 3.3 t80 -77.62 118.78 74.24 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.041 0.536 . . . . 0.0 109.759 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -84.76 25.38 0.7 Allowed 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.841 2.36 . . . . 0.0 113.608 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -112.3 137.02 21.4 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 123.264 0.626 . . . . 0.0 109.521 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.0 93.18 1.08 Allowed 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.726 2.284 . . . . 0.0 111.345 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.642 HD12 ' HG ' ' A' ' 50' ' ' LEU . 65.8 mt -79.45 105.48 10.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.3 0.64 . . . . 0.0 110.387 -176.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -132.45 -3.68 3.38 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.713 0.805 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.664 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.8 t -120.84 138.05 54.25 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.77 -24.79 62.81 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 123.471 0.482 . . . . 0.0 113.356 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.6 -44.69 93.25 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.895 0.878 . . . . 0.0 110.163 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.664 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 15.3 mm-40 -72.17 -25.36 61.66 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.415 0.686 . . . . 0.0 110.975 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.94 -21.45 34.1 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.963 0.505 . . . . 0.0 111.273 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 52.2 tttm -72.68 -29.14 63.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.726 0.81 . . . . 0.0 112.035 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 pt -63.86 -17.42 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 122.702 0.401 . . . . 0.0 111.583 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.4 105.88 17.98 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.09 -9.56 58.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -65.25 -25.24 67.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.98 0.912 . . . . 0.0 110.368 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.634 ' HB3' HD22 ' A' ' 73' ' ' LEU . 1.5 m-30 -77.68 -50.82 11.67 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.924 0.89 . . . . 0.0 109.27 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.43 153.21 30.07 Favored Glycine 0 C--N 1.342 0.909 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.574 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.11 -46.39 44.77 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.816 1.246 . . . . 0.0 112.562 -174.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.19 -52.09 63.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.935 0.894 . . . . 0.0 110.224 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.0 tt -65.3 -40.02 93.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.008 0.923 . . . . 0.0 110.906 -175.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 78.5 m -61.47 -37.67 84.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.565 0.746 . . . . 0.0 111.022 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.82 -35.42 67.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.036 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.5 mtp -64.43 -41.09 96.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.586 0.754 . . . . 0.0 110.802 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.26 -43.76 98.34 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.051 0.94 . . . . 0.0 110.955 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.36 -31.96 73.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.069 0.948 . . . . 0.0 111.147 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.48 -48.25 50.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.592 0.757 . . . . 0.0 110.519 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.62 -50.34 74.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.926 0.49 . . . . 0.0 110.817 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.26 -43.13 78.44 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 124.347 1.029 . . . . 0.0 110.203 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -61.7 -49.88 74.71 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.167 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -74.66 -34.15 62.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.974 0.51 . . . . 0.0 111.124 -170.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.76 -52.9 54.53 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 124.029 0.831 . . . . 0.0 109.571 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.3 mt -70.77 -24.22 62.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.695 0.622 . . . . 0.0 111.257 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.151 0 C-N-CA 123.084 0.554 . . . . 0.0 109.987 174.7 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -64.33 -45.46 87.74 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.3 -36.53 49.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -70.41 -42.51 71.54 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.35 0.26 . . . . 0.0 110.394 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.42 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 26.2 m0 -65.66 -43.09 90.45 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.526 0.517 . . . . 0.0 110.859 -176.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.597 HD21 HD11 ' A' ' 73' ' ' LEU . 73.1 mt -66.41 -34.34 77.73 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -74.76 -45.36 44.34 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 117.737 0.244 . . . . 0.0 111.189 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 13.1 pt-20 -72.41 -39.54 67.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.728 0.411 . . . . 0.0 110.819 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.434 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 51.7 m0 -72.51 -33.01 66.61 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.838 0.455 . . . . 0.0 109.986 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.4 ttm180 -60.07 -51.56 69.09 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.144 0.497 . . . . 0.0 110.283 171.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.1 -44.12 97.36 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.188 0.995 . . . . 0.0 110.625 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.38 -42.46 87.91 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.73 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.76 70.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.253 0.621 . . . . 0.0 111.1 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.81 88.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.663 0.785 . . . . 0.0 110.525 175.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -86.65 -29.82 22.23 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.363 0.665 . . . . 0.0 112.643 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -101.42 7.98 42.35 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.76 0.824 . . . . 0.0 112.024 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.79 28.07 72.46 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.525 0.516 . . . . 0.0 114.308 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.22 130.87 38.76 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.233 0.613 . . . . 0.0 109.424 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -78.0 -10.14 59.46 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.756 0.822 . . . . 0.0 110.885 -176.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.8 p -68.2 -10.73 56.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.487 0.715 . . . . 0.0 112.052 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 23.4 ttp180 -51.78 -42.19 62.23 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.394 0.616 . . . . 0.0 110.953 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -68.7 -37.79 79.8 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 113.706 -1.588 . . . . 0.0 111.2 -175.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.14 -34.71 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 117.576 0.171 . . . . 0.0 110.56 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -68.09 -30.26 69.4 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.005 0.522 . . . . 0.0 110.063 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.454 ' HA ' HH21 ' A' ' 29' ' ' ARG . 52.7 tt0 -71.74 -54.9 8.77 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.918 0.887 . . . . 0.0 111.272 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -70.29 -32.79 70.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.763 0.664 . . . . 0.0 111.767 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.47 64.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.825 0.45 . . . . 0.0 110.713 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 57.5 tp -63.33 -45.85 89.35 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.4 -34.32 75.16 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.681 0.613 . . . . 0.0 110.727 -177.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.3 t -64.7 -40.87 96.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.616 0.767 . . . . 0.0 110.463 173.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 tp -73.18 -30.64 63.69 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.503 0.721 . . . . 0.0 111.003 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 19.6 mm-40 -68.04 -38.45 82.51 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.588 0.755 . . . . 0.0 110.839 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -84.29 -24.3 29.93 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.43 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 10.0 t80 -82.55 116.33 63.21 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.083 0.553 . . . . 0.0 109.549 -176.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -80.32 1.96 8.86 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.94 2.427 . . . . 0.0 113.539 -173.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.428 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -94.75 114.7 64.17 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.54 96.74 1.0 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.209 1.94 . . . . 0.0 110.624 173.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 66' ' ' LEU . 78.1 mt -52.53 -50.09 63.56 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.42 1.088 . . . . 0.0 111.677 -174.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 71.12 -61.04 0.49 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.258 1.423 . . . . 0.0 112.154 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -89.3 148.0 23.79 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.828 0.851 . . . . 0.0 110.001 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.49 -20.07 79.26 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.37 -33.36 75.66 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.429 0.614 . . . . 0.0 111.609 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.5 mt-10 -79.34 -9.77 59.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.679 . . . . 0.0 112.204 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -75.11 -17.47 60.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.811 0.444 . . . . 0.0 111.214 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -69.22 -33.92 74.05 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.045 0.938 . . . . 0.0 112.014 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 62' ' ' GLU . 27.6 pt -63.65 -32.98 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 120.813 0.34 . . . . 0.0 110.742 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 57' ' ' LEU . 96.1 mt -86.52 104.84 16.36 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.73 -22.55 65.47 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.892 1.277 . . . . 0.0 112.475 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -59.8 -33.2 71.41 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.597 0.759 . . . . 0.0 110.758 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.445 ' HD2' HD12 ' A' ' 73' ' ' LEU . 5.1 m-85 -71.46 -70.28 0.33 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 171.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 176.46 51.24 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.81 -43.53 98.56 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.03 -45.69 87.77 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.886 0.474 . . . . 0.0 110.952 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.597 HD11 HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -69.56 -48.96 58.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.851 0.86 . . . . 0.0 109.67 -176.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 38.7 t -55.58 -38.45 69.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.62 1.168 . . . . 0.0 110.891 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -67.9 -46.92 70.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.504 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 86.4 mmm -55.22 -53.75 52.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 111.499 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD13 HD13 ' A' ' 73' ' ' LEU . 8.0 mp -67.54 -32.02 72.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.987 0.515 . . . . 0.0 111.69 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.28 -47.1 65.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.119 0.568 . . . . 0.0 110.828 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 61.6 mt-10 -69.54 -46.46 66.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.945 0.898 . . . . 0.0 110.747 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 28.8 mmmt -64.39 -41.59 96.58 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.548 0.739 . . . . 0.0 111.141 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 57.0 tp -54.2 -48.39 71.04 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.863 0.727 . . . . 0.0 109.19 174.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.08 -40.57 94.19 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.487 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 78.2 mt-30 -65.47 -39.21 91.7 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.414 0.626 . . . . 0.0 110.632 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -70.51 -46.69 63.19 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.168 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 63.9 mt -74.24 -28.02 61.04 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.959 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.408 0 C-N-CA 123.275 0.63 . . . . 0.0 110.657 179.293 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -65.37 -33.41 75.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.265 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -55.25 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 122.611 0.364 . . . . 0.0 110.765 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -60.33 -34.25 73.56 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 122.992 0.182 . . . . 0.0 111.008 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -65.61 -47.44 75.67 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.473 0.709 . . . . 0.0 111.392 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.73 -28.37 68.37 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.946 0.498 . . . . 0.0 111.354 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -71.3 -51.62 23.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.889 0.876 . . . . 0.0 110.846 177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 12.7 pt-20 -68.11 -42.6 80.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.474 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.0 -35.63 76.9 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.217 0.607 . . . . 0.0 110.718 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -41.99 91.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.681 0.793 . . . . 0.0 110.771 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.34 -37.76 68.79 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.767 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 50.3 mm-40 -61.19 -42.13 98.03 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.85 -21.2 60.98 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.025 0.93 . . . . 0.0 112.093 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -76.29 -49.83 15.96 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.043 0.537 . . . . 0.0 110.697 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -74.6 -52.85 10.64 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.581 0.753 . . . . 0.0 111.481 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -68.29 -27.89 66.71 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.97 0.908 . . . . 0.0 110.821 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.64 83.5 0.67 Allowed Glycine 0 C--N 1.351 1.362 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -130.74 145.1 51.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.391 1.076 . . . . 0.0 109.214 -176.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -68.48 -22.09 64.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.098 0.959 . . . . 0.0 112.007 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.4 p -78.68 -5.6 53.51 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 13.3 ttp180 -52.42 -40.81 62.6 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.393 0.616 . . . . 0.0 111.674 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -71.17 -44.39 65.6 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.112 -1.404 . . . . 0.0 111.21 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.19 -34.04 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.122 0.169 . . . . 0.0 110.631 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -64.79 -42.37 95.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.035 0.534 . . . . 0.0 109.962 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -65.16 -45.2 85.92 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.131 0.973 . . . . 0.0 111.914 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -65.32 -48.8 71.8 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.608 0.763 . . . . 0.0 110.477 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.32 90.52 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.559 177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.479 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 55.2 tp -61.35 -52.13 65.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.982 0.913 . . . . 0.0 110.513 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -46.75 87.82 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.989 0.916 . . . . 0.0 110.252 -176.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -60.23 -43.35 96.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.483 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -66.97 -40.1 87.37 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.143 0.577 . . . . 0.0 110.313 -177.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.479 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 46.2 mt-30 -68.07 -27.01 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.676 0.79 . . . . 0.0 112.325 -177.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 ptt85 -95.42 -22.61 17.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.655 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HE2' HD21 ' A' ' 57' ' ' LEU . 12.4 t80 -76.87 117.66 66.41 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 123.889 0.876 . . . . 0.0 109.595 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.87 32.04 0.51 Allowed 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 123.124 2.549 . . . . 0.0 113.787 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -124.44 119.28 26.13 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -67.65 96.78 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.326 2.017 . . . . 0.0 111.573 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' A' ' 50' ' ' LEU . 77.7 mt -68.09 104.05 1.68 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.363 0.665 . . . . 0.0 110.065 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -98.96 -10.67 22.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.836 0.854 . . . . 0.0 111.157 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.5 m -142.31 154.09 44.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.157 0.583 . . . . 0.0 111.031 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.539 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.79 -24.11 71.17 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.465 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.88 -48.4 70.11 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.16 0.984 . . . . 0.0 110.398 169.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.3 mt-10 -75.68 -32.54 60.18 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.747 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -73.44 -29.3 62.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.555 0.742 . . . . 0.0 111.896 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.519 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.1 ttpt -68.66 -23.96 64.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.491 1.116 . . . . 0.0 112.603 -172.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 62' ' ' GLU . 24.0 pt -73.64 -18.39 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.386 0.275 . . . . 0.0 111.216 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -95.6 117.77 31.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -73.28 -16.29 61.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -67.8 -18.71 64.94 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.082 0.553 . . . . 0.0 111.545 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -83.39 -75.27 0.33 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 174.11 38.48 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 116.706 -0.225 . . . . 0.0 112.84 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.33 -59.61 4.71 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.885 0.874 . . . . 0.0 112.065 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -54.74 -48.19 72.88 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.501 1.12 . . . . 0.0 111.505 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 77' ' ' LEU . 1.5 tm? -63.15 -52.3 62.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.791 1.236 . . . . 0.0 110.235 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 63.3 m -64.3 -34.45 78.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.162 0.585 . . . . 0.0 111.737 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.97 -41.27 91.4 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.89 0.744 . . . . 0.0 111.055 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.6 mtp -61.51 -51.07 70.15 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 73' ' ' LEU . 6.9 mp -58.28 -41.97 85.52 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.819 0.848 . . . . 0.0 112.092 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.539 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 29.5 t70 -73.01 -43.07 62.55 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.832 0.853 . . . . 0.0 110.851 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.4 mm-40 -65.6 -43.27 90.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -61.5 -43.43 98.87 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.217 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.91 -41.21 95.66 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.782 0.833 . . . . 0.0 109.42 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -61.99 -40.08 94.41 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.34 1.056 . . . . 0.0 110.743 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 53.8 mt-30 -70.67 -33.45 70.96 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.153 0.501 . . . . 0.0 109.834 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -70.24 -32.08 69.77 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.886 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.67 -34.84 58.21 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.96 0.504 . . . . 0.0 110.416 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 123.608 0.763 . . . . 0.0 111.824 -174.587 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -63.95 -22.46 66.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.475 0.71 . . . . 0.0 111.697 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.5 -53.1 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.145 0.43 . . . . 0.0 110.53 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' NH2' ' HE1' ' A' ' 24' ' ' TRP . 32.5 ptt85 -70.89 -33.11 70.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -177.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.411 ' HE1' ' NH2' ' A' ' 23' ' ' ARG . 40.6 m0 -67.56 -45.67 74.94 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 123.809 0.693 . . . . 0.0 111.125 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.558 HD21 HD21 ' A' ' 73' ' ' LEU . 95.2 mt -65.05 -32.01 73.51 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.501 0.32 . . . . 0.0 111.284 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.538 HG23 HH21 ' A' ' 29' ' ' ARG . 90.0 m -68.66 -50.26 52.57 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.44 0.696 . . . . 0.0 111.336 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 11.0 pt-20 -73.33 -39.63 65.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -172.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.42 ' HZ3' HD12 ' A' ' 77' ' ' LEU . 47.8 m0 -71.73 -31.12 66.36 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.979 0.512 . . . . 0.0 110.757 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.538 HH21 HG23 ' A' ' 26' ' ' THR . 22.0 ttp180 -60.18 -46.67 88.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.549 0.74 . . . . 0.0 110.388 169.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.62 -32.1 69.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.312 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 14.0 mm-40 -74.13 -30.94 62.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.186 0.594 . . . . 0.0 110.617 174.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -74.72 -21.95 59.09 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.596 0.359 . . . . 0.0 111.21 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.53 -42.52 14.34 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.49 0.716 . . . . 0.0 110.403 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -74.66 -48.82 24.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.773 0.829 . . . . 0.0 111.245 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -82.56 -3.0 55.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.912 0.885 . . . . 0.0 111.336 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.6 40.04 90.64 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.204 0.315 . . . . 0.0 113.342 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 36.6 mmt180 -87.01 -16.31 36.07 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.411 0.684 . . . . 0.0 111.526 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m80 71.12 -13.2 0.53 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.498 1.519 . . . . 0.0 113.826 173.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 p -73.74 5.44 4.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.914 0.886 . . . . 0.0 112.607 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -56.48 -30.1 62.53 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 123.593 0.757 . . . . 0.0 111.68 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.21 -39.76 71.55 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.753 0.821 . . . . 0.0 112.082 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.62 -36.55 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -70.13 -30.27 67.41 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.507 0.723 . . . . 0.0 110.981 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.94 -49.22 25.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.588 1.155 . . . . 0.0 111.431 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.9 -32.09 70.24 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.446 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.32 81.47 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.098 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.2 tp -59.48 -50.48 73.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.629 0.772 . . . . 0.0 110.92 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -60.26 -48.12 83.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 78.1 p -66.43 -32.73 74.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.7 -36.82 83.41 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.394 0.678 . . . . 0.0 110.397 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.7 mm-40 -69.86 -30.55 68.05 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 121.246 0.546 . . . . 0.0 110.731 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -91.9 -3.64 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.093 0.957 . . . . 0.0 111.353 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' SER . 7.0 t80 -105.02 100.39 24.26 Favored Pre-proline 0 N--CA 1.481 1.104 0 C-N-CA 123.799 0.84 . . . . 0.0 109.056 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -78.07 4.28 6.32 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.955 2.437 . . . . 0.0 113.787 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.488 HD22 ' HD2' ' A' ' 56' ' ' PRO . 2.9 tm? -82.08 118.26 71.39 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.488 ' HD2' HD22 ' A' ' 55' ' ' LEU . 53.2 Cg_endo -67.43 94.01 0.36 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.839 2.359 . . . . 0.0 112.578 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.86 82.84 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 108.986 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -81.67 -22.01 37.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 122.108 -0.37 . . . . 0.0 110.457 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -111.64 140.33 46.35 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.467 1.107 . . . . 0.0 108.246 171.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.64 -12.47 84.19 Favored Glycine 0 C--O 1.221 -0.674 0 CA-C-O 119.813 -0.437 . . . . 0.0 113.432 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.33 -22.11 65.62 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.008 0.523 . . . . 0.0 110.231 171.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 65' ' ' ILE . 35.6 mt-10 -74.03 -15.18 61.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.351 0.66 . . . . 0.0 111.362 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.28 -15.24 62.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.928 0.491 . . . . 0.0 111.039 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -64.67 -37.31 87.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.633 0.773 . . . . 0.0 111.338 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 62' ' ' GLU . 10.2 pt -69.86 -9.23 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 120.552 0.215 . . . . 0.0 111.117 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -109.47 108.82 19.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 166.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -68.37 -12.64 61.43 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.825 0.85 . . . . 0.0 111.796 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -62.99 -31.92 73.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.98 0.912 . . . . 0.0 111.091 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.623 ' HB3' HD22 ' A' ' 73' ' ' LEU . 1.2 m-85 -80.39 -55.24 5.03 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.96 163.71 36.24 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.897 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.83 93.16 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.98 0.912 . . . . 0.0 112.99 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.16 -43.53 82.02 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.356 0.662 . . . . 0.0 111.082 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.1 tt -72.27 -37.86 68.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 t -59.46 -39.86 85.01 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.824 0.85 . . . . 0.0 110.372 174.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.06 -42.46 80.46 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.397 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 mmt -57.61 -53.22 60.59 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.321 0.648 . . . . 0.0 110.752 176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.42 HD12 ' HZ3' ' A' ' 28' ' ' TRP . 8.0 mp -60.01 -41.51 92.31 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.805 0.842 . . . . 0.0 111.886 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.74 -47.0 73.64 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.302 0.572 . . . . 0.0 110.945 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 49.5 mt-10 -68.76 -43.42 75.85 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.16 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -66.17 -35.73 81.22 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.416 0.687 . . . . 0.0 111.757 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.7 tm? -62.97 -44.24 96.6 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.31 -32.78 72.64 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.041 0.936 . . . . 0.0 111.181 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.5 mm-40 -75.55 -32.02 60.28 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.302 0.501 . . . . 0.0 110.101 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -65.71 -30.65 71.35 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.488 0.715 . . . . 0.0 110.502 173.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 73.5 mt -79.41 -51.84 8.86 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.683 0.393 . . . . 0.0 110.648 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.874 0 C-N-CA 123.978 0.911 . . . . 0.0 111.863 -171.676 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.1 mt . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.46 -21.3 66.63 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.802 0.841 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.64 -56.65 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.138 0.426 . . . . 0.0 109.986 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -62.28 -38.52 89.66 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 48.2 m0 -67.2 -47.97 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.143 0.577 . . . . 0.0 111.783 -177.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD21 HD11 ' A' ' 77' ' ' LEU . 87.2 mt -64.08 -28.71 69.97 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.728 0.411 . . . . 0.0 111.227 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.4 m -72.63 -47.2 49.57 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.064 0.545 . . . . 0.0 111.503 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 11.6 pt-20 -72.83 -35.31 67.25 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.508 0.323 . . . . 0.0 111.281 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 41.3 m0 -74.71 -30.69 61.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.217 0.607 . . . . 0.0 110.491 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -61.55 -43.05 99.57 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.714 0.806 . . . . 0.0 109.961 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.28 -37.44 80.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.462 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 82.4 mt-10 -63.86 -40.35 96.37 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.582 0.706 . . . . 0.0 109.98 172.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . . . -68.7 -20.21 64.4 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.874 -0.517 . . . . 0.0 111.872 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.72 -35.71 22.31 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.395 0.678 . . . . 0.0 111.737 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 p -100.06 -56.29 2.41 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.332 0.653 . . . . 0.0 112.758 -171.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.1 -40.91 91.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.208 1.003 . . . . 0.0 110.504 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.07 35.83 4.66 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.873 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -70.33 -25.55 63.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.55 0.74 . . . . 0.0 109.91 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.2 m170 73.38 -18.72 0.36 Allowed 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 125.788 1.635 . . . . 0.0 113.285 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 p -75.31 11.16 1.28 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.435 1.094 . . . . 0.0 112.616 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.522 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 28.0 ptt180 -59.56 -23.2 62.69 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.759 0.824 . . . . 0.0 112.033 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -75.61 -41.96 53.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.565 0.746 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -77.15 -35.34 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 117.763 0.256 . . . . 0.0 110.933 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -64.67 -31.9 73.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.105 0.562 . . . . 0.0 109.869 172.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.13 -53.19 32.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.189 0.596 . . . . 0.0 110.298 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -63.65 -41.63 98.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.022 0.529 . . . . 0.0 111.818 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.4 91.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.59 0.756 . . . . 0.0 110.549 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 53.8 tp -67.36 -51.05 56.95 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.948 0.899 . . . . 0.0 111.278 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 24.6 mmt180 -63.92 -44.89 91.55 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.004 0.922 . . . . 0.0 110.164 -175.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 90.5 p -62.68 -40.54 97.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.717 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.3 tt -60.23 -41.85 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.056 0.942 . . . . 0.0 109.593 177.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.473 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.8 mt-30 -70.57 -21.41 62.69 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.526 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' ARG . 62.8 mtp180 -102.43 -5.79 23.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.299 0.64 . . . . 0.0 111.001 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.4 t80 -97.53 112.33 60.98 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.798 0.839 . . . . 0.0 108.765 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.63 33.72 0.47 Allowed 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 123.014 2.476 . . . . 0.0 113.001 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.85 145.7 32.92 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.862 0.865 . . . . 0.0 108.98 172.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -74.17 92.24 0.92 Allowed 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.855 2.37 . . . . 0.0 112.152 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.717 HD12 ' HG ' ' A' ' 50' ' ' LEU . 42.2 mt -89.52 72.84 7.86 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -97.64 -40.66 8.5 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 0.0 110.058 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -95.43 149.71 21.09 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.327 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.472 ' O ' ' SG ' ' A' ' 74' ' ' CYS . . . -60.89 -32.47 79.81 Favored Glycine 0 C--N 1.351 1.396 0 O-C-N 123.426 0.454 . . . . 0.0 112.578 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -49.5 -37.58 27.01 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.501 1.121 . . . . 0.0 111.868 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.513 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.5 mm-40 -83.8 -37.95 21.9 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.748 0.819 . . . . 0.0 111.068 -177.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.41 64.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.937 0.495 . . . . 0.0 111.59 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 35.1 ttpt -75.02 -19.7 59.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.298 1.039 . . . . 0.0 112.33 -175.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.0 pt -71.91 -20.05 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -94.12 135.64 35.27 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -85.22 -9.28 57.96 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.809 0.844 . . . . 0.0 110.833 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -58.56 -41.77 86.41 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.798 0.809 . . . . 0.0 109.351 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.88 -73.06 0.31 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.869 -1.514 . . . . 0.0 107.544 166.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.12 173.47 47.53 Favored Glycine 0 C--N 1.341 0.829 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -166.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.46 -41.31 84.87 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -76.8 -36.53 56.89 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.797 0.439 . . . . 0.0 111.97 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.29 -49.5 73.79 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 44.0 t -64.78 -26.13 68.22 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.764 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -62.17 -44.24 97.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.9 mmm -57.13 -48.38 78.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.818 0.447 . . . . 0.0 110.613 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 HD21 ' A' ' 25' ' ' LEU . 10.5 mp -62.69 -42.95 99.9 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.428 0.691 . . . . 0.0 112.693 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.3 -40.42 62.27 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.54 -172.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -59.35 -49.82 76.36 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.204 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.444 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.9 mmmt -63.86 -41.56 97.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.404 0.682 . . . . 0.0 112.079 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.2 tm? -58.88 -46.31 88.11 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -64.74 -34.96 79.57 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.591 1.156 . . . . 0.0 111.741 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -72.33 -34.39 68.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.014 0.526 . . . . 0.0 110.093 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -68.2 -38.56 82.11 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.222 1.009 . . . . 0.0 109.396 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 91.8 mt -66.84 -47.42 72.04 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.94 0.896 . . . . 0.0 110.724 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.14 0 C-N-CA 123.907 0.883 . . . . 0.0 112.12 -175.568 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.432 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 4.7 m-30 -60.05 -48.58 81.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.524 ' HB ' HD22 ' A' ' 50' ' ' LEU . 5.8 p -64.26 -46.88 92.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 123.347 0.404 . . . . 0.0 111.403 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.51 -29.9 69.44 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.43 0.292 . . . . 0.0 110.86 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 36.6 m0 -69.03 -47.06 66.35 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.555 0.534 . . . . 0.0 111.035 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.83 -28.48 69.88 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.316 0.246 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.5 m -71.63 -51.49 22.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.378 0.671 . . . . 0.0 110.783 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.8 pt-20 -72.33 -35.2 68.53 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.861 0.464 . . . . 0.0 111.192 -172.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -72.8 -35.34 67.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.042 0.537 . . . . 0.0 110.245 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -67.15 -35.45 79.73 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.152 0.581 . . . . 0.0 110.632 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.87 -35.63 67.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.461 0.704 . . . . 0.0 110.605 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.27 -29.47 65.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.603 0.761 . . . . 0.0 109.758 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 40' ' ' ARG . . . -74.92 -23.08 58.29 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.932 0.493 . . . . 0.0 111.414 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.29 -43.9 20.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.42 0.688 . . . . 0.0 110.08 172.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -77.52 -61.84 1.86 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 111.029 -174.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -73.52 -56.77 4.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.893 0.877 . . . . 0.0 109.762 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.99 73.51 0.56 Allowed Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.214 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.499 ' H ' ' HA ' ' A' ' 32' ' ' ALA . 39.8 mmt180 -92.62 146.32 23.75 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 175.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.37 -33.8 69.88 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.607 0.718 . . . . 0.0 109.89 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 p -76.51 10.09 2.32 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 114.658 -1.155 . . . . 0.0 113.589 -174.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.534 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 51.9 ttp180 -55.54 -39.04 70.06 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.64 0.776 . . . . 0.0 112.233 179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.56 -42.63 82.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.041 0.937 . . . . 0.0 111.398 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.449 HG13 HD23 ' A' ' 73' ' ' LEU . 7.9 p -76.1 -29.85 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.682 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.919 0.488 . . . . 0.0 109.946 172.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.34 -56.61 13.23 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.223 1.009 . . . . 0.0 111.286 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -68.84 -30.34 68.86 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.34 0.4 . . . . 0.0 111.547 -173.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.52 69.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.595 0.559 . . . . 0.0 110.725 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 46.0 tp -61.87 -49.39 76.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.192 0.597 . . . . 0.0 110.513 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -37.71 78.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.548 0.739 . . . . 0.0 109.669 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.616 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.3 tt -70.31 -37.01 74.66 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.503 0.721 . . . . 0.0 109.54 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.7 mm100 -61.04 -45.31 95.3 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.663 0.785 . . . . 0.0 111.276 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -82.33 -20.71 36.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.357 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 17.2 t80 -85.36 111.84 39.6 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 53' ' ' TYR . 7.7 Cg_exo -73.12 -23.45 18.14 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 123.078 2.518 . . . . 0.0 113.223 -172.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 2.1 tm? -65.88 115.91 27.37 Favored Pre-proline 0 CA--C 1.551 0.991 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -68.38 102.41 0.82 Allowed 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.928 2.419 . . . . 0.0 111.497 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.531 HD12 ' HG ' ' A' ' 50' ' ' LEU . 85.9 mt -72.22 101.01 2.72 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.359 0.664 . . . . 0.0 109.808 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -103.2 -39.65 6.76 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.314 1.046 . . . . 0.0 110.004 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -110.24 145.98 36.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.955 0.902 . . . . 0.0 109.272 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.82 -19.32 67.33 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 116.693 -0.23 . . . . 0.0 112.92 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -51.27 -48.25 62.25 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.662 1.185 . . . . 0.0 110.732 165.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 mt-10 -75.41 -38.27 59.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.738 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -69.53 -36.93 76.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.313 0.645 . . . . 0.0 112.384 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 6.4 ttpm? -71.31 -22.63 61.91 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.417 0.687 . . . . 0.0 112.271 -171.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.3 pt -63.65 -27.17 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.801 0.441 . . . . 0.0 111.618 -174.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.3 143.33 32.32 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.668 0.387 . . . . 0.0 110.503 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -86.73 36.54 0.72 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.711 1.204 . . . . 0.0 110.538 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -132.73 -30.37 1.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.454 1.102 . . . . 0.0 109.408 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.88 -78.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.3 -177.93 50.52 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-N 116.285 -0.416 . . . . 0.0 113.123 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -66.89 -45.98 76.34 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.557 0.743 . . . . 0.0 112.71 -172.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -61.43 -48.63 80.3 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.367 0.667 . . . . 0.0 111.201 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.449 HD23 HG13 ' A' ' 42' ' ' VAL . 2.2 tm? -62.75 -52.08 64.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.357 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 30.9 t -59.46 -33.61 71.51 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.141 0.901 . . . . 0.0 111.751 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.24 -44.73 87.27 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.394 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.5 mtp -70.04 -40.05 75.36 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.87 -51.46 22.21 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.675 1.19 . . . . 0.0 111.903 -172.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.685 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 37.8 t70 -75.93 -34.03 59.87 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.111 0.964 . . . . 0.0 112.827 -175.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.577 ' HG2' HE21 ' A' ' 83' ' ' GLN . 30.7 tt0 -66.95 -44.63 80.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.857 0.463 . . . . 0.0 110.015 176.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -55.36 -46.82 76.45 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.663 171.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . 23.7 tp -53.31 -45.67 69.1 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.808 0.843 . . . . 0.0 110.648 175.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.88 -44.28 93.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.414 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.577 HE21 ' HG2' ' A' ' 79' ' ' GLU . 78.5 mt-30 -73.54 -33.45 64.72 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.896 0.478 . . . . 0.0 110.285 -174.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.78 -48.86 67.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.659 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.7 -18.33 48.24 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.65 0.78 . . . . 0.0 111.655 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.056 0 C-N-CA 122.859 0.464 . . . . 0.0 109.864 174.777 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -55.71 -38.99 70.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.081 1.352 . . . . 0.0 111.556 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.03 -40.1 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.267 0.627 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -65.07 -48.99 71.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.855 0.862 . . . . 0.0 109.242 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -67.86 -43.58 79.11 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 124.05 0.844 . . . . 0.0 111.04 -173.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 73' ' ' LEU . 95.4 mt -67.7 -30.19 69.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.85 0.46 . . . . 0.0 111.749 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -73.35 -51.24 18.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.645 0.378 . . . . 0.0 111.034 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.86 -37.14 81.46 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.493 0.317 . . . . 0.0 110.504 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -69.71 -36.39 75.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.095 0.558 . . . . 0.0 110.701 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.49 -39.75 95.27 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.408 0.683 . . . . 0.0 110.324 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.64 -42.13 78.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.003 0.921 . . . . 0.0 110.769 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.481 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 24.4 mm-40 -61.94 -46.08 90.88 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 123.196 0.598 . . . . 0.0 109.925 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.92 63.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.364 0.665 . . . . 0.0 111.495 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.96 42.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.005 0.522 . . . . 0.0 111.073 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -77.29 -47.22 20.62 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.384 0.674 . . . . 0.0 111.713 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 31' ' ' GLU . 3.3 mpt_? -77.15 -18.15 58.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.677 1.191 . . . . 0.0 110.461 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.73 43.37 7.79 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.287 0.367 . . . . 0.0 113.233 175.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 132.59 38.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.722 0.809 . . . . 0.0 109.834 172.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -66.42 -20.16 65.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.734 0.814 . . . . 0.0 111.004 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 p -64.16 -8.23 11.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.328 1.051 . . . . 0.0 113.292 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -50.58 -41.2 54.2 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.024 0.529 . . . . 0.0 111.41 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.54 -34.62 70.17 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 7.9 p -75.42 -32.16 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.718 0.69 . . . . 0.0 110.173 179.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -68.04 -37.18 81.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.979 0.512 . . . . 0.0 109.913 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -52.4 34.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.845 1.258 . . . . 0.0 110.876 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 18.2 ptpt -71.07 -35.26 71.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.734 0.413 . . . . 0.0 110.757 -174.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.64 89.1 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 123.174 0.59 . . . . 0.0 110.016 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.8 tp -59.6 -53.44 58.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.325 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -60.08 -43.47 95.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.896 0.878 . . . . 0.0 111.644 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 66.3 m -62.15 -38.61 89.64 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.806 0.691 . . . . 0.0 110.908 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HG ' HD12 ' A' ' 57' ' ' LEU . 4.8 tt -67.15 -42.99 83.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.969 0.908 . . . . 0.0 109.888 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 26.1 mm-40 -60.37 -38.14 82.95 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.193 0.597 . . . . 0.0 111.386 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -92.21 -15.13 27.96 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' SER . 17.3 t80 -72.98 127.53 89.34 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 122.669 0.388 . . . . 0.0 110.056 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.63 31.68 0.48 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 123.168 2.579 . . . . 0.0 114.583 -175.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -144.31 125.15 7.73 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -69.67 103.65 1.18 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.762 2.308 . . . . 0.0 111.485 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.422 HD12 ' HG ' ' A' ' 50' ' ' LEU . 38.8 mt -72.88 99.43 2.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.351 0.596 . . . . 0.0 109.675 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -118.07 15.02 14.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 110.117 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -162.05 147.66 13.15 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.215 1.006 . . . . 0.0 109.253 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.507 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -67.29 -18.14 69.06 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.361 0.413 . . . . 0.0 112.951 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.31 -45.12 80.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.653 0.74 . . . . 0.0 110.288 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -83.77 -23.03 31.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.106 -174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.58 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . . . -86.37 -33.67 20.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.212 0.605 . . . . 0.0 112.026 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -71.22 -24.05 62.13 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.888 0.475 . . . . 0.0 112.134 -174.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 pt -63.86 -17.72 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 122.316 0.246 . . . . 0.0 111.034 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.67 121.4 38.47 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 170.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -82.48 -4.76 58.03 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -68.99 -27.37 65.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -79.35 -72.71 0.38 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 167.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.23 -169.02 49.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.473 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.32 -60.27 3.39 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.992 0.517 . . . . 0.0 111.723 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -57.48 -49.68 75.5 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.028 0.931 . . . . 0.0 111.289 -170.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD11 HD21 ' A' ' 25' ' ' LEU . 1.7 tm? -63.06 -55.67 23.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.85 -176.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 53.9 t -72.79 -29.29 63.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.926 -168.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -68.33 -44.55 75.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.285 0.634 . . . . 0.0 110.424 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtp -67.75 -38.43 83.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.475 0.31 . . . . 0.0 110.519 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -64.7 -35.17 80.17 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.458 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.507 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 33.6 t70 -75.1 -33.96 61.67 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.278 1.031 . . . . 0.0 111.169 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.27 -39.96 86.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.333 0.653 . . . . 0.0 110.617 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.84 -47.12 82.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.332 172.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.04 -37.31 76.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.582 0.753 . . . . 0.0 109.815 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -69.85 -41.51 74.79 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.736 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -31.81 65.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -175.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.99 -52.38 65.25 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.79 172.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 mt -71.82 -35.49 69.95 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.842 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 122.828 0.451 . . . . 0.0 110.889 -174.267 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 119.69 -0.195 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -72.11 -6.05 18.32 Favored 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 123.124 2.55 . . . . 0.0 112.98 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.64 115.94 40.59 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 123.465 0.706 . . . . 0.0 109.146 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -81.09 21.58 0.88 Allowed 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.242 2.628 . . . . 0.0 112.676 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.59 124.73 22.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.2 m 70.1 106.18 0.03 OUTLIER Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.341 1.456 . . . . 0.0 110.172 -168.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -57.05 90.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.385 2.461 0 C-N-CA 122.75 2.3 . . . . 0.0 111.333 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -89.88 116.15 65.65 Favored Pre-proline 0 CA--C 1.544 0.715 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HG2' HD21 ' A' ' 50' ' ' LEU . 79.2 Cg_exo -45.78 159.0 0.24 Allowed 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 124.005 3.137 . . . . 0.0 114.743 176.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.48 -21.06 66.6 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 114.801 -1.09 . . . . 0.0 109.022 170.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.409 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 16.9 m-30 -62.67 -34.64 77.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.033 1.333 . . . . 0.0 111.859 172.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -60.42 -54.61 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 123.037 0.535 . . . . 0.0 110.332 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -62.89 -35.0 78.6 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.701 0.626 . . . . 0.0 111.19 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -65.44 -46.66 79.05 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 123.141 0.276 . . . . 0.0 111.357 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 73' ' ' LEU . 93.5 mt -66.02 -30.48 71.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.871 0.468 . . . . 0.0 111.237 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.2 m -71.75 -48.94 43.43 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.393 0.677 . . . . 0.0 110.529 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.9 -35.3 67.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.829 0.452 . . . . 0.0 111.367 -174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -69.25 -43.5 73.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.766 0.426 . . . . 0.0 110.442 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' NH1' ' HB2' ' A' ' 44' ' ' GLN . 43.1 ttt85 -66.11 -36.66 83.76 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.074 0.549 . . . . 0.0 111.139 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.16 -48.72 67.16 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.477 0.711 . . . . 0.0 110.215 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -58.92 -40.96 86.15 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.995 172.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -27.22 67.45 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.583 0.753 . . . . 0.0 112.173 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.18 -31.24 58.39 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.245 0.618 . . . . 0.0 110.479 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 t -84.64 -34.86 22.98 Favored 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 123.637 0.775 . . . . 0.0 111.484 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.421 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . 82.5 mtt180 -92.72 -25.1 18.36 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.202 1.001 . . . . 0.0 111.483 -173.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.36 33.4 17.12 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.994 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 35' ' ' ARG . 19.2 mmm180 -77.92 134.17 37.95 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -74.51 -14.73 60.85 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.457 0.703 . . . . 0.0 111.729 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.0 p -73.86 -8.4 55.92 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.713 0.805 . . . . 0.0 112.021 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.1 ttp-105 -51.82 -36.4 47.81 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.706 1.203 . . . . 0.0 112.259 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -73.57 -40.49 63.87 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.343 1.057 . . . . 0.0 111.469 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.443 HG22 HD23 ' A' ' 73' ' ' LEU . 9.4 p -73.99 -32.6 33.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 120.636 0.255 . . . . 0.0 110.403 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -69.72 -30.92 68.66 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.145 0.578 . . . . 0.0 110.271 174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.1 tp60 -68.05 -57.91 5.36 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.88 0.472 . . . . 0.0 111.074 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -62.41 -29.12 70.26 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.847 0.459 . . . . 0.0 111.752 -175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.63 -49.75 50.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.647 173.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 57.2 tp -62.76 -42.1 99.53 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.318 0.647 . . . . 0.0 111.279 -177.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 31.7 mmm180 -67.64 -39.16 84.64 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.511 0.725 . . . . 0.0 110.166 -178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.4 t -59.55 -42.99 93.62 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.661 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.46 HD21 ' HG2' ' A' ' 19' ' ' PRO . 2.3 tt -69.71 -38.77 77.06 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.585 0.754 . . . . 0.0 109.906 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.414 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.6 mt-30 -67.31 -29.69 69.33 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.387 0.675 . . . . 0.0 111.647 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -94.22 -11.48 30.2 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.481 0.313 . . . . 0.0 111.432 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -94.39 119.44 66.44 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 123.164 0.585 . . . . 0.0 109.647 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.96 21.0 0.99 Allowed 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 123.235 2.624 . . . . 0.0 114.233 -173.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.411 HD12 HD23 ' A' ' 57' ' ' LEU . 2.7 tm? -114.86 123.37 32.09 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.38 100.03 1.19 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.386 2.058 . . . . 0.0 111.561 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD23 HD12 ' A' ' 55' ' ' LEU . 54.8 mt -63.15 111.53 2.26 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.09 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -96.48 -27.11 15.04 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.428 0.691 . . . . 0.0 109.906 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -126.77 156.9 40.47 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.295 1.038 . . . . 0.0 110.315 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.85 -22.02 73.57 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.299 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -60.11 -40.38 89.49 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.054 0.941 . . . . 0.0 110.506 172.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.62 -26.8 58.11 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.018 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -18.42 45.42 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.161 0.585 . . . . 0.0 111.287 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -65.18 -37.03 86.08 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.278 1.031 . . . . 0.0 111.446 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 pt -64.55 -25.97 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.254 0.621 . . . . 0.0 111.202 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.6 mt -87.72 103.08 15.27 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.214 1.006 . . . . 0.0 109.361 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.54 -19.6 63.7 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.182 0.993 . . . . 0.0 111.373 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -62.05 -36.66 82.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.621 0.768 . . . . 0.0 110.391 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -68.24 -66.56 0.55 Allowed 'General case' 0 C--O 1.241 0.636 0 C-N-CA 123.548 0.739 . . . . 0.0 109.322 171.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 92.44 155.42 31.89 Favored Glycine 0 C--N 1.343 0.962 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -171.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -60.61 -34.46 74.26 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -62.27 -46.11 90.26 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.152 0.581 . . . . 0.0 109.569 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.532 HD11 HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -64.65 -49.91 69.16 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.386 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 35.4 m -58.41 -39.76 80.58 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.195 0.998 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.47 -45.97 81.62 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.769 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.0 mmt -61.32 -48.32 81.89 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.145 0.578 . . . . 0.0 110.744 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.32 -45.4 80.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.093 0.957 . . . . 0.0 112.305 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -71.58 -37.83 70.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 123.522 0.514 . . . . 0.0 110.834 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 23.1 mm-40 -62.74 -43.19 99.45 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.164 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -66.17 -42.65 88.65 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 123.144 0.577 . . . . 0.0 110.641 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 1.5 tm? -56.33 -42.85 78.33 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.39 -48.47 81.62 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 114.724 -1.126 . . . . 0.0 111.336 174.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 97.6 mt-30 -65.52 -41.5 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.103 0.561 . . . . 0.0 110.968 -174.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.52 -50.77 70.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.93 0.892 . . . . 0.0 110.564 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 58.5 mt -64.72 -32.28 73.89 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.951 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.42 -35.59 60.95 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.66 0.784 . . . . 0.0 112.016 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -102.57 -12.14 17.98 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.306 0.643 . . . . 0.0 112.384 -172.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.54 -58.68 3.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -103.27 -152.14 23.24 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 119.424 -0.653 . . . . 0.0 112.849 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 124.874 1.27 . . . . 0.0 110.926 -179.113 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.419 HH11 ' HB3' ' A' ' 13' ' ' LEU . 3.9 tmt_? . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.46 122.6 9.08 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 122.795 2.33 . . . . 0.0 111.049 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' HB3' HH11 ' A' ' 11' ' ' ARG . 1.5 pp -149.77 152.44 34.61 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 123.579 0.752 . . . . 0.0 110.28 179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.8 94.55 0.71 Allowed 'Trans proline' 0 C--N 1.378 2.096 0 C-N-CA 122.349 2.032 . . . . 0.0 111.589 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -90.17 -20.0 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 C-N-CA 123.805 0.842 . . . . 0.0 110.702 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.5 t 61.95 78.94 0.28 Allowed Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 124.718 1.207 . . . . 0.0 110.901 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -81.0 67.09 8.76 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.2 2.6 . . . . 0.0 111.501 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -128.38 78.68 75.31 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 124.244 1.018 . . . . 0.0 109.465 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.1 126.93 8.13 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.673 2.248 . . . . 0.0 111.214 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.71 -39.75 84.33 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.917 0.887 . . . . 0.0 111.764 -169.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -69.37 -36.51 76.9 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.496 0.718 . . . . 0.0 111.685 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.2 t -67.75 -52.12 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.732 0.413 . . . . 0.0 110.537 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -59.06 -40.01 83.84 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 123.546 0.528 . . . . 0.0 111.059 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -63.66 -49.32 73.65 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.524 0.515 . . . . 0.0 111.578 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.51 -28.98 69.58 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 117.717 0.235 . . . . 0.0 111.386 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.4 m -69.47 -52.48 26.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.508 0.723 . . . . 0.0 110.866 177.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.79 -41.41 65.02 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.7 m0 -65.87 -34.62 78.56 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.116 0.566 . . . . 0.0 110.431 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -61.21 -43.59 98.63 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.503 0.721 . . . . 0.0 110.753 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.86 -30.31 61.3 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.223 1.009 . . . . 0.0 111.264 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.37 -36.29 58.23 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.161 0.984 . . . . 0.0 109.393 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -75.46 -22.09 57.58 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.615 0.766 . . . . 0.0 110.872 175.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.8 -44.34 64.1 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 170.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 t -69.86 -32.79 71.36 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.137 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.588 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -92.97 -5.11 51.43 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.414 0.686 . . . . 0.0 110.817 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.15 28.89 74.03 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 113.907 0.323 . . . . 0.0 113.907 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.588 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 30.3 mmm180 -78.01 150.67 33.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.173 0.989 . . . . 0.0 111.723 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -71.05 -19.93 62.43 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.764 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 p -71.07 -13.1 61.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.141 0.576 . . . . 0.0 112.498 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -54.32 -40.43 67.97 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.033 0.379 . . . . 0.0 110.63 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -63.44 -45.7 89.71 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.876 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.482 HG13 HD23 ' A' ' 73' ' ' LEU . 9.7 p -73.79 -32.11 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.075 0.15 . . . . 0.0 111.075 -174.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -71.09 -32.46 69.1 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.933 0.493 . . . . 0.0 110.293 173.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.22 -55.0 13.83 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.644 0.778 . . . . 0.0 110.481 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.69 -32.11 71.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.009 -176.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -45.51 80.92 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.194 0.598 . . . . 0.0 110.362 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 62.6 tp -60.34 -53.92 51.81 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.082 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -67.78 -30.45 69.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 111.127 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t -68.19 -38.1 81.64 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.131 175.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.4 tt -67.77 -39.31 84.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.497 0.719 . . . . 0.0 109.238 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 29.3 mm-40 -61.37 -42.8 99.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.524 0.73 . . . . 0.0 111.349 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -81.95 -22.6 36.6 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.639 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.3 t80 -72.48 128.03 89.19 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.503 0.721 . . . . 0.0 110.526 -171.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -72.41 -15.13 28.06 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.638 2.225 . . . . 0.0 113.292 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 24.0 tp -92.98 132.52 30.73 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 123.253 0.621 . . . . 0.0 109.345 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.22 99.78 1.2 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.364 2.042 . . . . 0.0 110.47 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD12 ' HG ' ' A' ' 50' ' ' LEU . 92.4 mt -66.6 93.03 0.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.077 -175.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.63 -42.81 40.84 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.826 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.0 m -120.79 155.64 33.58 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.633 0.773 . . . . 0.0 110.397 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -68.88 -18.56 72.64 Favored Glycine 0 C--N 1.346 1.084 0 O-C-N 123.349 0.406 . . . . 0.0 112.367 172.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -55.04 -43.8 74.08 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.14 0.976 . . . . 0.0 110.252 165.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -78.62 -29.97 46.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.923 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.504 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -80.67 -23.54 39.55 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.337 0.655 . . . . 0.0 112.581 -176.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 38.6 ttpt -70.88 -22.34 62.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.24 0.616 . . . . 0.0 112.022 -173.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -66.57 -20.06 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 122.939 0.495 . . . . 0.0 111.421 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.16 131.52 37.34 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 123.289 0.635 . . . . 0.0 109.466 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -78.83 -20.09 50.49 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.672 0.789 . . . . 0.0 111.332 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.64 -35.28 79.1 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 121.239 0.542 . . . . 0.0 110.065 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 15.8 m-85 -75.54 -76.53 0.15 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 167.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.5 174.55 40.17 Favored Glycine 0 C--N 1.343 0.922 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.385 -172.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.92 -57.4 12.79 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.928 0.891 . . . . 0.0 112.728 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -71.95 -28.92 63.77 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.593 0.757 . . . . 0.0 112.479 -172.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD23 HG13 ' A' ' 42' ' ' VAL . 2.0 tm? -62.29 -53.39 55.82 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 82.5 m -68.11 -25.19 65.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.484 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.0 mmm180 -60.35 -51.06 71.11 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 122.654 0.382 . . . . 0.0 110.264 169.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.4 mtp -66.42 -43.04 86.82 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.506 0.67 . . . . 0.0 109.991 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.68 -50.53 64.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.315 1.446 . . . . 0.0 111.796 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.723 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 26.1 t70 -74.93 -42.5 57.61 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.152 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.1 mm-40 -59.68 -41.0 89.69 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -56.98 -52.06 66.73 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.034 0.534 . . . . 0.0 111.15 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.4 tp -54.91 -41.34 70.83 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.361 0.665 . . . . 0.0 111.413 177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -67.26 -38.65 85.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.619 1.167 . . . . 0.0 110.247 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 48.7 mt-30 -73.85 -34.96 64.73 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.454 0.702 . . . . 0.0 109.76 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.52 ' HD2' ' HB2' ' A' ' 90' ' ' ASP . 58.0 t-80 -65.19 -42.61 93.42 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.125 0.97 . . . . 0.0 110.452 178.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.9 mt -78.35 -44.95 23.78 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.22 0.608 . . . . 0.0 111.446 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.72 -45.29 71.92 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.085 0.554 . . . . 0.0 111.374 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.9 t -76.54 -28.67 56.4 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.528 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.55 33.01 39.96 Favored Glycine 0 C--N 1.348 1.201 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 84' ' ' HIS . . . 174.2 -178.84 45.89 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 115.147 -0.527 . . . . 0.0 112.085 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.52 ' HB2' ' HD2' ' A' ' 84' ' ' HIS . 18.6 t70 . . . . . 0 C--O 1.253 1.281 0 CA-C-O 118.304 -0.855 . . . . 0.0 108.872 -174.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -80.96 144.14 14.87 Favored 'Trans proline' 0 C--N 1.369 1.632 0 C-N-CA 122.293 1.996 . . . . 0.0 111.41 166.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.19 104.61 23.76 Favored Pre-proline 0 N--CA 1.48 1.069 0 C-N-CA 123.648 0.779 . . . . 0.0 109.529 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD2' ' SG ' ' A' ' 16' ' ' CYS . 6.3 Cg_exo -80.8 -161.33 0.15 Allowed 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 123.507 2.805 . . . . 0.0 111.744 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.38 10.27 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 123.414 0.686 . . . . 0.0 109.99 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 29.5 p -63.22 144.2 97.49 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 123.83 0.852 . . . . 0.0 111.906 -177.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -75.78 -177.13 3.39 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.769 2.312 . . . . 0.0 111.29 173.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -127.57 77.1 76.41 Favored Pre-proline 0 N--CA 1.48 1.069 0 C-N-CA 122.681 0.392 . . . . 0.0 110.046 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -87.15 -6.38 7.35 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 123.082 2.521 . . . . 0.0 112.648 170.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 mp 66.1 12.02 8.21 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.496 1.118 . . . . 0.0 113.004 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.07 -39.49 90.1 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.472 0.578 . . . . 0.0 111.348 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG23 HE22 ' A' ' 51' ' ' GLN . 4.6 p -58.1 -49.88 80.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.1 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -73.94 -32.51 63.53 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.865 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 25.0 m0 -67.58 -43.8 79.68 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.684 0.615 . . . . 0.0 110.463 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.18 -30.56 71.48 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.421 0.288 . . . . 0.0 111.454 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.9 m -75.45 -47.32 27.77 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.77 0.428 . . . . 0.0 111.278 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.5 pt-20 -73.67 -31.31 63.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.042 0.537 . . . . 0.0 111.144 -174.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -79.22 -29.79 42.93 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.813 0.445 . . . . 0.0 110.525 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.86 -40.99 90.47 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.024 0.53 . . . . 0.0 109.806 166.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.51 -40.01 81.01 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.064 0.945 . . . . 0.0 110.398 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HB3' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mm-40 -60.94 -37.81 83.63 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.263 1.025 . . . . 0.0 110.984 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -71.13 -36.63 72.17 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.444 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.35 61.11 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.366 0.667 . . . . 0.0 111.393 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -84.54 -42.8 15.13 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.889 0.876 . . . . 0.0 110.817 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -105.1 7.49 33.86 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.477 0.711 . . . . 0.0 112.463 -174.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.53 30.13 75.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 123.539 0.524 . . . . 0.0 113.222 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.576 ' NH1' ' HB3' ' A' ' 31' ' ' GLU . 58.7 mtt180 -72.92 134.84 44.94 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.335 0.654 . . . . 0.0 110.324 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -64.19 -20.38 65.98 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.952 0.901 . . . . 0.0 111.273 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.9 p -64.17 -5.02 4.15 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.722 1.209 . . . . 0.0 113.444 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -49.93 -45.13 50.86 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.948 0.899 . . . . 0.0 111.391 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -72.11 -39.43 68.89 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.656 -175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.39 -31.47 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 117.597 0.181 . . . . 0.0 110.741 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -74.26 -31.2 62.46 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.541 0.336 . . . . 0.0 110.379 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -69.87 -49.79 48.81 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.477 0.485 . . . . 0.0 110.67 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.07 -30.47 68.8 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 123.228 0.33 . . . . 0.0 110.839 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.35 -45.21 60.87 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.254 0.621 . . . . 0.0 110.457 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 58.1 tp -63.78 -56.96 11.6 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.137 0.575 . . . . 0.0 110.175 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.54 -38.14 77.16 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.168 0.987 . . . . 0.0 111.224 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.1 t -59.04 -49.14 79.01 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.83 -35.64 80.59 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.349 1.059 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 21.9 mm-40 -67.77 -34.69 77.31 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.241 0.616 . . . . 0.0 111.932 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -94.21 -14.44 25.55 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.365 0.266 . . . . 0.0 111.299 176.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.6 t80 -77.31 119.72 78.6 Favored Pre-proline 0 N--CA 1.476 0.843 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -173.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -77.36 -2.3 12.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 122.941 2.428 . . . . 0.0 113.384 -172.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.0 mt -87.17 142.81 33.9 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.37 -37.3 24.07 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 123.008 2.472 . . . . 0.0 113.052 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.1 mt 54.97 70.4 0.63 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.652 1.181 . . . . 0.0 110.597 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -84.94 -33.39 22.68 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 121.174 0.511 . . . . 0.0 110.772 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -103.41 152.24 21.85 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.504 0.722 . . . . 0.0 110.109 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.62 -23.11 72.07 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 171.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -63.07 -37.82 88.73 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.523 1.129 . . . . 0.0 110.434 169.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' ILE . 49.5 mt-10 -72.75 -39.07 67.13 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.135 0.574 . . . . 0.0 110.673 175.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.74 -14.99 63.38 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.486 0.714 . . . . 0.0 111.702 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -69.33 -29.94 67.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.185 0.994 . . . . 0.0 112.059 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.0 pt -70.17 -8.53 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.72 114.36 28.54 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 123.184 0.594 . . . . 0.0 109.831 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -72.44 -17.5 61.78 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.822 0.849 . . . . 0.0 110.727 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -59.36 -33.05 70.69 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.478 0.711 . . . . 0.0 111.463 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -71.43 -70.8 0.3 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 172.02 18.29 Favored Glycine 0 N--CA 1.467 0.711 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.202 -176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.57 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 21.0 t70 -62.23 -60.76 3.12 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.921 0.488 . . . . 0.0 111.823 -175.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 76' ' ' MET . 96.4 mtt180 -65.39 -33.27 75.56 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.835 0.854 . . . . 0.0 111.228 -176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.403 HD13 HD13 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -63.13 -49.91 72.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.142 0.977 . . . . 0.0 109.607 179.468 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 76.2 m -61.39 -32.19 72.11 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.96 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -68.62 -40.81 80.18 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.757 0.661 . . . . 0.0 110.762 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 72' ' ' ARG . 87.8 mtp -58.96 -48.21 82.33 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 122.702 0.401 . . . . 0.0 110.393 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 HD13 ' A' ' 73' ' ' LEU . 10.1 mp -68.36 -38.33 81.33 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.591 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -68.04 -49.89 58.64 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.224 0.61 . . . . 0.0 111.143 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.59 -50.83 69.72 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 124.086 0.867 . . . . 0.0 110.252 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -55.82 -45.54 78.29 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.182 0.593 . . . . 0.0 111.392 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.9 tm? -56.84 -49.0 76.77 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.549 0.74 . . . . 0.0 109.741 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.21 -41.28 92.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.43 1.092 . . . . 0.0 111.543 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -75.89 -29.18 58.37 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.648 0.779 . . . . 0.0 110.217 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -72.42 -33.96 67.5 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.996 0.918 . . . . 0.0 110.352 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 86.6 mt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.059 0.544 . . . . 0.0 110.085 176.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.42 42.89 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.348 0.659 . . . . 0.0 111.357 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -87.23 -28.4 22.39 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.698 0.799 . . . . 0.0 111.334 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.17 -56.5 2.84 Favored Glycine 0 C--N 1.35 1.335 0 CA-C-N 116.597 -0.274 . . . . 0.0 112.79 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.09 -65.2 2.24 Favored Glycine 0 C--N 1.343 0.942 0 O-C-N 123.711 0.3 . . . . 0.0 113.449 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 N--CA 1.482 1.172 0 C-N-CA 123.378 0.671 . . . . 0.0 109.949 -177.789 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.84 138.98 55.29 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 122.137 1.891 . . . . 0.0 110.907 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.68 123.58 79.88 Favored Pre-proline 0 CA--C 1.55 0.96 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -67.67 79.97 0.48 Allowed 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.654 2.236 . . . . 0.0 111.774 176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.8 p -132.87 77.15 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 122.915 1.341 . . . . 0.0 107.983 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -146.4 152.43 46.05 Favored Pre-proline 0 CA--C 1.542 0.647 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.079 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -73.51 6.63 2.63 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 122.639 2.226 . . . . 0.0 112.861 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 58.65 79.16 0.32 Allowed Pre-proline 0 C--N 1.362 1.135 0 C-N-CA 125.253 1.421 . . . . 0.0 110.504 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 52.1 Cg_exo -53.02 136.39 60.84 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 122.487 2.125 . . . . 0.0 110.613 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.6 mt -56.92 -25.83 58.14 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 123.314 0.384 . . . . 0.0 111.784 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.66 -24.3 58.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 19' ' ' PRO . 7.1 m -68.2 -42.3 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 118.777 0.717 . . . . 0.0 110.071 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -75.67 -34.6 60.47 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.045 0.538 . . . . 0.0 110.398 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -71.45 -42.88 67.63 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.683 0.614 . . . . 0.0 111.497 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD21 HD11 ' A' ' 77' ' ' LEU . 79.4 mt -68.27 -34.79 76.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-N 117.862 0.301 . . . . 0.0 110.809 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.5 m -63.07 -49.66 73.64 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.444 0.465 . . . . 0.0 111.196 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 13.0 pt-20 -69.34 -47.45 64.33 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.839 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -62.59 -36.74 83.68 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.963 0.505 . . . . 0.0 111.004 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -56.14 -56.21 23.63 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.889 0.743 . . . . 0.0 110.617 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -74.95 -28.69 60.69 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.468 -171.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 35.4 mm-40 -68.88 -49.71 55.87 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.339 0.656 . . . . 0.0 109.316 173.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.585 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -66.3 -28.75 68.93 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.398 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.14 -45.72 72.79 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.582 0.753 . . . . 0.0 110.282 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -76.22 -18.51 59.01 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.269 0.628 . . . . 0.0 110.808 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -86.6 -24.66 25.3 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.429 0.692 . . . . 0.0 110.601 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.77 65.15 1.63 Allowed Glycine 0 C--N 1.353 1.475 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 -175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.585 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 15.7 mtp180 -130.94 139.79 50.09 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.034 0.934 . . . . 0.0 110.205 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -71.46 -20.03 62.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.074 0.549 . . . . 0.0 111.447 176.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 42' ' ' VAL . 17.4 p -68.0 -17.17 64.34 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.11 0.564 . . . . 0.0 112.401 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -61.47 -29.65 70.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.134 0.425 . . . . 0.0 109.99 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -72.68 -41.55 65.23 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.313 1.008 . . . . 0.0 110.923 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 39' ' ' THR . 5.8 p -71.63 -35.09 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 117.884 0.311 . . . . 0.0 110.475 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -73.07 -30.52 63.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.276 0.63 . . . . 0.0 110.243 175.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 43.6 tt0 -71.52 -53.13 14.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.696 0.798 . . . . 0.0 111.304 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -65.68 -36.95 85.12 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.503 0.502 . . . . 0.0 110.975 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.15 96.25 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.824 0.703 . . . . 0.0 109.745 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 65.6 tp -59.31 -50.47 73.88 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.805 . . . . 0.0 111.001 177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 40.3 mmm-85 -65.12 -37.09 86.35 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.82 0.448 . . . . 0.0 110.687 -175.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 13.2 t -67.36 -34.88 78.22 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.162 177.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -73.14 -38.19 66.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.204 1.002 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 9.7 mm100 -75.9 -27.08 57.53 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.103 0.561 . . . . 0.0 111.634 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -86.8 -20.44 27.57 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.3 t80 -76.83 120.43 81.66 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.19 30.14 0.47 Allowed 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 123.229 2.619 . . . . 0.0 113.305 -173.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -130.01 113.94 17.47 Favored Pre-proline 0 CA--C 1.547 0.833 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.4 97.17 0.25 Allowed 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 123.117 2.544 . . . . 0.0 112.222 175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD23 HD12 ' A' ' 55' ' ' LEU . 68.5 mt -74.91 100.91 4.24 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.738 0.815 . . . . 0.0 109.569 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -82.74 -22.33 34.44 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.001 0.92 . . . . 0.0 110.681 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.501 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.5 t -112.34 132.74 54.83 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.805 0.842 . . . . 0.0 109.35 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.62 -21.68 74.81 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.535 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.39 -39.93 81.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.611 1.165 . . . . 0.0 110.38 171.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 24.1 mm-40 -74.68 -19.88 60.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.489 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -80.57 -21.53 41.59 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.601 0.76 . . . . 0.0 111.455 177.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 38.2 ttpt -69.37 -24.12 63.84 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.618 0.767 . . . . 0.0 112.102 -175.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.1 pt -64.85 -21.3 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.347 . . . . 0.0 111.435 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mp -93.39 119.36 32.41 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.81 -15.15 63.39 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.76 0.824 . . . . 0.0 111.716 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -67.19 -23.66 65.78 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.713 0.805 . . . . 0.0 111.508 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -87.09 -74.09 0.45 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 167.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.55 178.06 35.43 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.328 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.61 -50.26 59.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.63 0.772 . . . . 0.0 112.424 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -63.93 -43.74 94.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.607 0.763 . . . . 0.0 110.897 -177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 77' ' ' LEU . 1.4 tm? -61.24 -49.05 78.68 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 124.155 0.909 . . . . 0.0 109.027 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 9.3 t -54.89 -41.85 71.42 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.425 1.09 . . . . 0.0 111.699 178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -71.06 -35.1 71.79 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.828 0.705 . . . . 0.0 111.045 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.7 mmm -60.74 -47.75 84.91 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.485 0.314 . . . . 0.0 110.298 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 73' ' ' LEU . 8.0 mp -66.1 -34.45 78.08 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.973 0.909 . . . . 0.0 111.266 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.48 -48.38 70.05 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.872 0.869 . . . . 0.0 110.388 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 49.7 mm-40 -59.38 -49.52 77.48 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.236 1.014 . . . . 0.0 110.703 177.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -61.71 -45.07 95.53 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.739 0.816 . . . . 0.0 112.072 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.73 -41.3 95.04 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -68.09 -34.1 75.77 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.031 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 55.9 mt-30 -70.13 -39.71 75.26 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -62.82 -45.91 90.43 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.178 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 mt -77.65 -56.95 4.1 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.204 0.202 . . . . 0.0 111.506 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.87 62.28 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.089 0.556 . . . . 0.0 112.06 -175.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 m -77.9 -26.13 48.93 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 119.521 -0.276 . . . . 0.0 111.371 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.43 -19.8 19.17 Favored Glycine 0 C--N 1.357 1.734 0 CA-C-N 117.73 0.241 . . . . 0.0 112.886 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.44 -95.82 0.62 Allowed Glycine 0 C--N 1.346 1.138 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.247 0.964 0 C-N-CA 124.075 0.95 . . . . 0.0 108.569 178.072 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 mtp-105 . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.05 106.1 1.73 Allowed 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 122.468 2.112 . . . . 0.0 112.693 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -85.57 115.79 62.95 Favored Pre-proline 0 CA--C 1.554 1.107 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.07 103.93 0.22 Allowed 'Trans proline' 0 C--N 1.38 2.228 0 C-N-CA 122.959 2.439 . . . . 0.0 112.769 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.97 -26.85 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 124.319 1.048 . . . . 0.0 110.532 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.8 t -133.52 83.43 48.89 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 170.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -82.53 67.96 7.81 Favored 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 123.264 2.643 . . . . 0.0 112.21 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.491 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 41.7 t30 -57.6 -46.35 99.77 Favored Pre-proline 0 CA--C 1.558 1.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.371 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 18' ' ' ASN . 3.3 Cg_exo -84.55 103.98 0.94 Allowed 'Trans proline' 0 C--N 1.389 2.66 0 C-N-CA 122.033 1.822 . . . . 0.0 109.291 159.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.35 -20.78 65.81 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.602 0.761 . . . . 0.0 111.722 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.497 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 36.7 m-85 -63.02 -31.81 73.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.723 1.209 . . . . 0.0 110.394 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 19' ' ' PRO . 82.2 t -66.68 -51.92 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.361 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -64.49 -34.18 77.62 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.527 -0.273 . . . . 0.0 111.19 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.78 -46.54 71.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.949 0.5 . . . . 0.0 110.679 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 73' ' ' LEU . 80.8 mt -69.45 -30.98 69.01 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -71.54 -46.48 59.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.792 0.437 . . . . 0.0 110.403 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.74 -36.58 67.76 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.671 0.388 . . . . 0.0 111.292 -174.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -65.17 -45.82 83.37 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.658 0.383 . . . . 0.0 110.119 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -59.05 -39.51 82.24 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.104 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.65 -42.54 61.24 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.571 0.748 . . . . 0.0 111.273 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -65.5 -43.51 89.9 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.014 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.83 -31.31 72.2 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.095 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.526 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -67.77 -39.51 84.12 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.28 0.632 . . . . 0.0 110.701 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.4 m -82.53 -24.3 34.15 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.151 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -99.64 -11.62 20.77 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 123.182 0.593 . . . . 0.0 111.473 -174.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.88 16.04 60.3 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 112.351 -0.3 . . . . 0.0 112.351 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -83.77 126.1 32.58 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.613 1.165 . . . . 0.0 109.947 -177.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -62.03 -20.23 63.72 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.806 1.243 . . . . 0.0 113.619 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.7 p -66.7 -15.51 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -172.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.526 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 27.9 ptt180 -54.86 -31.6 59.8 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.117 0.567 . . . . 0.0 111.761 176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -70.2 -43.46 70.68 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.487 0.715 . . . . 0.0 111.145 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.13 -36.72 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.46 -29.77 68.48 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.392 0.677 . . . . 0.0 110.623 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.39 -53.9 12.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.417 0.687 . . . . 0.0 110.874 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -67.17 -29.32 68.98 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.429 0.456 . . . . 0.0 110.959 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.49 -44.31 75.0 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.708 0.803 . . . . 0.0 110.313 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.95 -41.96 99.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.073 0.949 . . . . 0.0 111.015 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -65.13 -47.35 77.43 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.669 0.788 . . . . 0.0 110.033 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 77.4 p -67.44 -30.77 70.59 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.215 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.78 -48.37 63.83 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.44 0.696 . . . . 0.0 109.671 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.6 -43.08 97.84 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.77 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -77.58 -24.04 49.82 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.1 t80 -71.81 122.48 87.37 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 122.867 0.467 . . . . 0.0 110.358 -174.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' TYR . 53.2 Cg_endo -91.15 19.15 1.15 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.568 2.845 . . . . 0.0 113.675 -170.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -100.14 154.32 37.28 Favored Pre-proline 0 CA--C 1.552 1.056 0 C-N-CA 123.23 0.612 . . . . 0.0 109.789 172.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -49.74 -50.58 12.8 Favored 'Trans proline' 0 C--N 1.389 2.685 0 C-N-CA 123.863 3.042 . . . . 0.0 114.44 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt 59.5 27.85 17.1 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.025 0.93 . . . . 0.0 111.472 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -77.75 -2.54 36.75 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.934 0.894 . . . . 0.0 111.85 -174.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -124.36 146.04 49.08 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.162 0.985 . . . . 0.0 108.555 170.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -69.44 -18.45 73.55 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 112.323 -0.311 . . . . 0.0 112.323 175.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -63.98 -33.09 74.94 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 111.177 170.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 65' ' ' ILE . 44.7 mt-10 -72.9 -17.82 61.47 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.311 0.645 . . . . 0.0 111.537 177.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.27 -17.36 60.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.454 0.702 . . . . 0.0 111.415 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 58.2 tptt -62.48 -41.56 98.87 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.469 1.108 . . . . 0.0 112.249 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 62' ' ' GLU . 32.5 pt -63.74 -23.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.856 0.462 . . . . 0.0 111.69 -174.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.32 110.32 21.61 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -69.39 -17.08 63.63 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.525 0.73 . . . . 0.0 111.104 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -55.72 -30.46 61.2 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.214 1.006 . . . . 0.0 111.357 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -79.38 -57.86 3.49 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 172.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.46 172.52 38.21 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.027 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.77 -52.1 66.83 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.483 0.713 . . . . 0.0 112.05 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.72 -46.73 81.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.303 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 25' ' ' LEU . 6.6 tt -68.64 -42.27 78.22 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.042 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 37.5 t -58.44 -35.29 71.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.825 0.45 . . . . 0.0 110.342 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -70.23 -41.68 73.27 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 123.762 0.664 . . . . 0.0 110.631 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.412 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 83.7 mmm -60.34 -47.44 86.04 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 121.754 0.788 . . . . 0.0 109.554 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' HD2' ' A' ' 21' ' ' PHE . 10.5 tp -73.76 -32.97 64.07 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 113.793 -1.549 . . . . 0.0 110.757 -173.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.535 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 37.1 t70 -70.07 -39.4 75.64 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.57 177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.0 mt-10 -65.59 -44.68 85.88 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.583 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 76' ' ' MET . 31.3 mmmt -61.85 -46.71 88.26 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 123.432 0.457 . . . . 0.0 111.042 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.29 -41.95 90.16 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.16 -36.6 84.58 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.299 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.6 mt-30 -70.24 -35.83 74.1 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.721 0.408 . . . . 0.0 110.138 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.59 -36.48 82.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.727 0.411 . . . . 0.0 111.076 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.47 -33.77 60.85 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.73 0.412 . . . . 0.0 110.462 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.92 68.59 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.16 0.984 . . . . 0.0 110.691 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.4 m -96.32 -26.25 15.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.586 0.754 . . . . 0.0 111.756 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.41 -77.09 1.76 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 -170.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.24 93.73 0.13 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 CA--C 1.555 1.137 0 C-N-CA 123.587 0.755 . . . . 0.0 110.575 178.356 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -59.24 141.06 97.38 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 122.513 2.142 . . . . 0.0 112.054 169.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.53 HD12 ' HD2' ' A' ' 14' ' ' PRO . 61.0 tp -57.15 118.79 26.47 Favored Pre-proline 0 N--CA 1.479 0.998 0 C-N-CA 124.082 0.953 . . . . 0.0 109.384 177.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.53 ' HD2' HD12 ' A' ' 13' ' ' LEU . 46.5 Cg_endo -65.12 85.18 0.19 Allowed 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.963 2.442 . . . . 0.0 113.175 -174.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.73 -44.7 12.79 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 170.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -134.49 125.28 17.57 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.014 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -77.48 5.23 5.31 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.852 2.368 . . . . 0.0 114.527 -170.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 72.14 165.59 0.13 Allowed Pre-proline 0 N--CA 1.493 1.715 0 C-N-CA 124.618 1.167 . . . . 0.0 111.632 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HB2' ' HD2' ' A' ' 21' ' ' PHE . 56.9 Cg_endo -69.27 -20.34 37.28 Favored 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 122.127 1.885 . . . . 0.0 112.35 169.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 mp 74.18 -33.32 0.25 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.037 1.735 . . . . 0.0 112.473 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.493 ' HD2' ' HB2' ' A' ' 19' ' ' PRO . 95.7 m-85 -52.67 -36.18 56.54 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.207 1.003 . . . . 0.0 112.444 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.21 -43.88 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 O-C-N 123.517 0.511 . . . . 0.0 111.441 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -74.17 -30.47 62.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.59 -47.18 70.46 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 124.17 0.988 . . . . 0.0 110.891 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 59.0 mt -65.24 -30.28 71.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.8 0.44 . . . . 0.0 111.246 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 m -71.95 -52.76 15.6 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.413 0.446 . . . . 0.0 110.699 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.29 -44.87 93.81 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 123.673 0.608 . . . . 0.0 110.782 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.464 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 36.0 m0 -73.91 -29.14 61.89 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.364 0.666 . . . . 0.0 111.776 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -58.45 -50.15 74.74 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -73.24 -32.73 64.9 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.458 0.703 . . . . 0.0 110.863 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -66.56 -37.99 86.13 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.37 0.668 . . . . 0.0 110.155 173.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -68.62 -34.41 75.71 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.68 178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 40' ' ' ARG . . . -63.88 -52.21 61.01 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.666 0.604 . . . . 0.0 111.575 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -81.19 -44.75 17.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.55 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -27.93 67.51 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 122.716 0.407 . . . . 0.0 110.637 175.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.26 13.1 34.22 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 113.881 0.312 . . . . 0.0 113.881 174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 30.4 mmt180 -67.87 132.39 47.27 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.944 0.498 . . . . 0.0 109.955 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -74.12 -4.26 34.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.778 0.831 . . . . 0.0 111.521 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 p -74.72 -0.6 18.62 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.187 0.995 . . . . 0.0 112.247 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.529 ' HD3' ' HB2' ' A' ' 33' ' ' ALA . 19.1 tpt180 -51.13 -41.91 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.994 0.918 . . . . 0.0 110.64 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -74.23 -42.26 60.01 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.486 -172.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.6 p -75.1 -35.53 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 O-C-N 123.127 0.267 . . . . 0.0 110.743 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.39 -33.61 74.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.956 0.503 . . . . 0.0 110.358 174.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.19 -51.03 61.68 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.349 0.66 . . . . 0.0 111.1 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -74.44 -30.59 61.95 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.051 0.54 . . . . 0.0 111.546 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.33 -47.07 68.49 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.207 0.603 . . . . 0.0 110.012 175.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.506 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 60.7 tp -60.95 -45.78 93.35 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.773 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -62.03 -42.12 98.83 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.728 0.643 . . . . 0.0 110.364 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 21.9 t -62.44 -39.65 94.03 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.507 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 tp -73.56 -36.84 65.68 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 123.803 0.841 . . . . 0.0 111.627 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.506 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.7 mt-30 -66.98 -35.43 79.95 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.448 0.699 . . . . 0.0 111.347 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.5 -22.73 24.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.357 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.2 t80 -74.89 116.44 53.94 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 122.619 0.368 . . . . 0.0 110.073 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.9 -33.07 85.04 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 123.409 2.739 . . . . 0.0 113.949 -172.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.9 125.08 88.64 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 122.655 0.382 . . . . 0.0 110.339 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -72.86 90.7 0.83 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.926 2.418 . . . . 0.0 110.693 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' ' 63' ' ' ALA . 47.3 mt -70.4 95.52 1.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.926 0.891 . . . . 0.0 110.036 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -101.43 32.66 3.22 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.033 0.933 . . . . 0.0 110.673 -176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.507 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.1 t -158.67 146.49 18.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.215 1.406 . . . . 0.0 107.776 168.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -73.94 -22.97 77.38 Favored Glycine 0 N--CA 1.471 1.019 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.42 -43.64 75.5 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.387 1.075 . . . . 0.0 110.352 165.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 43.3 mt-10 -72.98 -39.09 66.39 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.824 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.615 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -69.41 -17.08 63.62 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.366 0.666 . . . . 0.0 112.109 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.55 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 36.3 ttpt -76.12 -14.54 60.18 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.529 0.732 . . . . 0.0 112.252 -176.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.8 pt -67.56 -25.83 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-O 120.692 0.282 . . . . 0.0 110.688 176.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.8 114.81 24.77 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.802 0.841 . . . . 0.0 109.015 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -73.45 -8.46 55.98 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.276 0.63 . . . . 0.0 112.594 -177.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -64.35 -29.04 70.12 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.086 0.554 . . . . 0.0 111.082 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.26 -80.21 0.07 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.179 0.991 . . . . 0.0 109.425 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.89 13.63 Favored Glycine 0 C--N 1.343 0.933 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.0 -54.01 47.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.927 0.891 . . . . 0.0 111.227 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.23 -34.02 72.35 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.441 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 77' ' ' LEU . 1.3 tm? -62.37 -53.08 60.19 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 0.0 109.248 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 86.4 m -68.38 -26.75 65.73 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.825 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -64.17 -51.29 64.51 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.772 0.429 . . . . 0.0 110.217 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.3 mtp -61.03 -50.57 72.82 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.843 0.715 . . . . 0.0 110.349 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 73' ' ' LEU . 9.3 mp -55.83 -50.47 70.44 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.658 0.783 . . . . 0.0 112.695 176.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.465 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 24.8 t70 -65.36 -40.66 93.84 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.893 0.477 . . . . 0.0 110.508 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 40.1 mm-40 -59.06 -47.26 85.89 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 124.101 0.875 . . . . 0.0 110.704 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 29.1 mmmt -56.04 -48.14 76.55 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.254 0.622 . . . . 0.0 111.507 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 tp -60.81 -47.28 87.04 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.613 0.571 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -62.06 -28.56 69.69 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.184 . . . . 0.0 111.559 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt-30 -75.62 -37.55 59.67 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.306 0.643 . . . . 0.0 109.671 175.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.616 0.766 . . . . 0.0 110.524 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.59 -29.29 27.89 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.73 0.812 . . . . 0.0 111.107 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.61 44.62 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.914 0.486 . . . . 0.0 110.657 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.1 t -84.07 -42.57 15.98 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 123.297 0.639 . . . . 0.0 109.96 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.46 -62.9 1.75 Allowed Glycine 0 C--N 1.347 1.143 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.772 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 132.75 -152.36 20.27 Favored Glycine 0 C--N 1.341 0.847 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.9 t70 . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.27 164.04 36.5 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 121.985 1.79 . . . . 0.0 110.385 163.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp 67.13 102.59 0.04 OUTLIER Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 124.137 0.975 . . . . 0.0 109.494 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.98 30.77 0.52 Allowed 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 123.164 2.576 . . . . 0.0 113.07 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -68.22 171.14 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 124.623 1.169 . . . . 0.0 112.214 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.1 p -63.87 133.52 95.6 Favored Pre-proline 0 CA--C 1.557 1.249 0 C-N-CA 123.811 0.844 . . . . 0.0 112.055 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.663 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 36.4 Cg_endo -87.35 58.0 3.31 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.293 2.662 . . . . 0.0 111.656 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 39.2 t-20 -59.87 -41.94 88.13 Favored Pre-proline 0 CA--C 1.576 1.943 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.616 -177.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 18' ' ' ASN . 18.7 Cg_endo -56.27 111.19 0.71 Allowed 'Trans proline' 0 C--N 1.408 3.663 0 C-N-CA 122.343 2.029 . . . . 0.0 111.238 171.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.98 -45.98 89.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.773 1.229 . . . . 0.0 113.424 -166.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.415 ' HD2' HD23 ' A' ' 77' ' ' LEU . 82.7 m-85 -66.78 -33.76 76.33 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-O 120.934 0.397 . . . . 0.0 111.407 -175.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -66.39 -55.72 17.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.093 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.663 ' HB3' ' HB2' ' A' ' 17' ' ' PRO . 11.0 ptm180 -65.52 -34.73 78.94 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.022 -176.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m0 -68.76 -39.23 80.38 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD21 HD21 ' A' ' 73' ' ' LEU . 64.9 mt -68.63 -30.96 69.79 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 174.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 m -71.4 -51.14 25.64 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.849 0.459 . . . . 0.0 110.796 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -73.24 -32.46 64.74 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.79 0.836 . . . . 0.0 111.312 -173.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 46.3 m0 -75.99 -30.49 58.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.685 0.394 . . . . 0.0 110.424 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -66.2 -37.29 85.23 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.237 0.615 . . . . 0.0 109.669 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.06 -41.59 77.39 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.289 1.035 . . . . 0.0 110.24 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -69.22 -32.9 72.47 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.975 0.91 . . . . 0.0 110.917 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.69 -22.15 43.78 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 122.93 0.492 . . . . 0.0 110.822 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.5 57.65 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.234 0.613 . . . . 0.0 110.148 169.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -80.18 -58.34 3.19 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.605 0.762 . . . . 0.0 111.614 -171.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.09 -33.48 73.42 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.991 0.917 . . . . 0.0 110.59 177.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.92 34.22 6.3 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.723 -178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -85.82 127.56 34.59 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -70.82 -10.28 59.23 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.691 0.796 . . . . 0.0 111.825 -173.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 p -73.39 -3.42 27.19 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.987 0.915 . . . . 0.0 112.641 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -54.77 -35.23 63.58 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.405 0.682 . . . . 0.0 111.558 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.39 -50.11 74.91 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.01 -37.02 59.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 122.355 0.262 . . . . 0.0 110.594 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -63.15 -35.02 78.89 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.27 0.628 . . . . 0.0 111.131 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -71.82 -55.26 7.9 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.47 0.708 . . . . 0.0 110.508 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.64 -30.0 70.65 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.471 0.482 . . . . 0.0 111.393 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.43 60.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.472 0.709 . . . . 0.0 110.55 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 51.8 tp -57.72 -52.67 64.51 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.635 0.774 . . . . 0.0 110.712 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 9.9 mmm180 -63.58 -37.25 86.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.117 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 t -64.41 -40.87 96.61 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.238 0.615 . . . . 0.0 110.293 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.636 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.8 tt -67.03 -36.93 83.18 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.8 0.84 . . . . 0.0 109.798 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 14.0 mm100 -65.9 -34.42 78.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.562 0.745 . . . . 0.0 111.597 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 22.1 ptt85 -100.6 -3.07 31.22 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 122.971 0.508 . . . . 0.0 112.35 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 55' ' ' LEU . 42.5 t80 -86.01 119.04 71.49 Favored Pre-proline 0 N--CA 1.48 1.068 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.7 -24.67 47.4 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 123.264 2.642 . . . . 0.0 114.356 -170.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 6.6 mp -82.88 131.43 54.3 Favored Pre-proline 0 N--CA 1.478 0.957 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -70.65 110.67 2.79 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.809 2.339 . . . . 0.0 109.537 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.636 HD12 ' HG ' ' A' ' 50' ' ' LEU . 93.4 mt -81.79 61.85 5.34 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.866 0.866 . . . . 0.0 111.508 -174.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -93.17 83.41 4.65 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.786 0.835 . . . . 0.0 109.283 -178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.0 t -173.08 -52.74 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.864 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.35 -44.52 1.53 Allowed Glycine 0 C--N 1.35 1.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.205 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.59 -47.17 86.63 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.026 0.931 . . . . 0.0 110.631 171.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.84 -16.16 64.1 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.531 0.733 . . . . 0.0 112.461 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.76 -22.67 58.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.2 0.6 . . . . 0.0 111.601 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.739 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.0 ttpt -71.5 -28.21 63.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.754 0.821 . . . . 0.0 112.701 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.6 pt -64.73 -24.43 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 122.575 0.35 . . . . 0.0 111.339 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -89.21 116.6 27.57 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 173.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.66 -21.84 66.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.156 0.582 . . . . 0.0 112.055 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -55.01 -35.16 64.11 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.458 0.703 . . . . 0.0 111.519 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' HB3' HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -79.11 -58.79 3.06 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 149.66 5.89 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.109 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.49 -33.14 20.27 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.26 1.024 . . . . 0.0 113.172 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -59.2 -56.88 16.5 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.575 0.75 . . . . 0.0 110.399 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.7 tt -71.8 -36.97 70.45 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.566 -174.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.739 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.2 m -63.52 -36.73 84.75 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.267 0.627 . . . . 0.0 111.049 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.91 -39.75 83.53 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.728 0.642 . . . . 0.0 110.602 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.69 -50.66 73.05 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 123.276 0.36 . . . . 0.0 111.056 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.415 HD23 ' HD2' ' A' ' 21' ' ' PHE . 10.5 mp -69.69 -34.54 74.08 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.516 0.726 . . . . 0.0 111.876 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -67.48 -43.6 80.57 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.4 0.68 . . . . 0.0 110.294 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 39.9 mt-10 -67.04 -41.84 85.87 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.047 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 30.7 mmmt -63.74 -41.27 98.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.291 0.236 . . . . 0.0 110.776 177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.01 -39.28 94.28 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.77 -41.77 98.13 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.248 1.019 . . . . 0.0 110.711 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 96.2 mt-30 -75.11 -33.58 61.62 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.499 0.719 . . . . 0.0 110.25 -177.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -61.84 -44.08 97.55 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.46 1.104 . . . . 0.0 110.202 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.9 mt -80.86 -31.38 35.38 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.783 0.433 . . . . 0.0 111.204 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.01 81.03 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.227 0.611 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.6 m -86.1 -28.6 23.94 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.514 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.67 -35.97 4.7 Favored Glycine 0 C--N 1.349 1.274 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -144.37 -158.92 7.81 Favored Glycine 0 C--N 1.342 0.873 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 . . . . . 0 C--O 1.248 1.0 0 C-N-CA 123.488 0.715 . . . . 0.0 109.875 -179.276 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.37 93.68 0.3 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.59 2.193 . . . . 0.0 111.682 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 pp -128.93 151.99 78.41 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 124.486 1.114 . . . . 0.0 109.657 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.85 119.1 6.1 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.045 1.83 . . . . 0.0 111.43 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 m -80.67 0.92 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.506 0.722 . . . . 0.0 111.117 177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.2 m -51.27 110.0 1.61 Allowed Pre-proline 0 C--N 1.359 0.979 0 C-N-CA 124.918 1.287 . . . . 0.0 111.091 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.665 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 12.8 Cg_exo -70.45 95.3 0.61 Allowed 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.865 2.377 . . . . 0.0 111.321 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -62.52 -49.74 81.92 Favored Pre-proline 0 CA--C 1.562 1.412 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.626 ' HB3' ' HA ' ' A' ' 58' ' ' ARG . 73.7 Cg_endo -83.59 140.47 9.41 Favored 'Trans proline' 0 C--N 1.384 2.446 0 C-N-CA 121.374 1.383 . . . . 0.0 110.063 157.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.4 -15.92 58.98 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.596 0.358 . . . . 0.0 110.929 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -60.39 -29.42 68.94 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.57 1.148 . . . . 0.0 112.382 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.665 ' HB ' ' HB3' ' A' ' 17' ' ' PRO . 60.3 t -65.16 -54.12 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -69.01 -30.65 69.09 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.094 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.9 m0 -70.17 -51.01 34.48 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 122.846 0.459 . . . . 0.0 110.817 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.646 HD21 HD11 ' A' ' 73' ' ' LEU . 79.7 mt -64.33 -27.44 69.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.407 . . . . 0.0 111.916 178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.6 m -70.27 -49.42 50.01 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.825 0.45 . . . . 0.0 110.949 174.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -71.91 -33.74 68.53 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.825 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.403 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 48.8 m0 -70.6 -39.24 73.91 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.911 0.485 . . . . 0.0 110.158 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -60.94 -43.9 98.0 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.789 0.836 . . . . 0.0 110.575 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.71 -48.79 68.13 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.868 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.95 -32.16 72.4 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.121 0.968 . . . . 0.0 110.99 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.79 -34.19 71.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.626 0.37 . . . . 0.0 110.571 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.23 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.05 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.2 m -80.07 -35.78 36.55 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.359 0.663 . . . . 0.0 111.779 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.58 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 3.9 tpt180 -92.09 -7.73 47.81 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.533 0.733 . . . . 0.0 110.749 -173.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.06 10.56 85.41 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 116.251 -0.432 . . . . 0.0 113.718 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.58 ' HG2' ' HB3' ' A' ' 35' ' ' ARG . 38.2 mmt180 -69.11 122.15 18.17 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -71.98 -3.49 23.03 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.369 0.668 . . . . 0.0 111.815 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 p -67.22 -8.34 30.85 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.664 0.785 . . . . 0.0 112.114 170.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -51.54 -39.07 57.05 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.087 0.555 . . . . 0.0 110.578 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -61.79 -50.13 73.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.326 1.016 . . . . 0.0 111.434 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.91 -34.41 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 122.147 0.179 . . . . 0.0 111.046 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -74.27 -33.37 63.24 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.034 0.533 . . . . 0.0 111.067 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -73.66 -46.04 48.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.453 0.701 . . . . 0.0 111.038 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -72.27 -32.51 66.71 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 123.398 0.436 . . . . 0.0 110.744 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.32 -41.56 73.09 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.467 0.479 . . . . 0.0 110.449 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 62.7 tp -65.41 -44.69 86.66 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.914 0.486 . . . . 0.0 110.9 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -65.55 -37.82 87.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.889 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 70.0 m -63.28 -44.75 94.19 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.839 0.712 . . . . 0.0 110.544 173.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.52 -40.27 86.61 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.227 1.011 . . . . 0.0 111.597 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -77.66 -41.81 36.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.42 0.688 . . . . 0.0 111.793 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -76.25 -28.96 57.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.476 0.31 . . . . 0.0 111.588 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.4 t80 -76.47 119.77 78.8 Favored Pre-proline 0 N--CA 1.476 0.83 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -176.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.31 -15.64 38.91 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.406 2.071 . . . . 0.0 112.745 -173.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 47.3 tp -76.06 120.75 83.03 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 109.58 176.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 55' ' ' LEU . 7.9 Cg_exo -72.64 98.92 1.0 Allowed 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 123.01 2.473 . . . . 0.0 110.743 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.26 81.47 6.51 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.626 ' HA ' ' HB3' ' A' ' 19' ' ' PRO . 35.8 ttm180 -89.65 -8.73 51.83 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.378 1.071 . . . . 0.0 110.463 177.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -121.0 134.38 55.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.503 1.121 . . . . 0.0 109.458 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.48 -22.29 69.43 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-N 116.224 -0.444 . . . . 0.0 113.132 177.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -65.88 -39.33 90.57 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.597 0.759 . . . . 0.0 110.648 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' O ' HG12 ' A' ' 65' ' ' ILE . 28.9 mm-40 -72.85 -23.32 60.74 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.583 0.753 . . . . 0.0 111.034 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.61 -21.98 61.03 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.332 0.653 . . . . 0.0 111.741 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 48.8 tptt -64.98 -28.95 69.86 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.897 0.879 . . . . 0.0 112.186 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.5 pt -66.58 -17.03 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 117.747 0.249 . . . . 0.0 111.078 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -100.37 121.65 41.85 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -83.43 -7.73 59.51 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.508 0.723 . . . . 0.0 111.336 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -66.33 -31.88 72.95 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.469 ' HD2' HD12 ' A' ' 73' ' ' LEU . 30.9 m-85 -75.21 -72.03 0.33 Allowed 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 166.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.45 173.89 50.01 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.69 -0.506 . . . . 0.0 112.7 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -53.46 -50.34 65.51 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.596 0.758 . . . . 0.0 112.824 -175.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -62.85 -46.36 88.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.837 0.711 . . . . 0.0 110.899 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.646 HD11 HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -65.98 -54.21 29.06 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -178.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 62.7 m -62.16 -34.01 75.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.017 0.927 . . . . 0.0 112.293 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.3 tpt85 -72.79 -44.05 62.02 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.278 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 61.0 mtm -70.38 -34.88 73.1 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.401 0.438 . . . . 0.0 110.047 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 tp -62.34 -43.92 97.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 109.537 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.71 -40.9 92.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.793 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 22.9 mm-40 -67.35 -35.92 80.35 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.464 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 76' ' ' MET . 30.3 mmmt -67.63 -44.07 78.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.939 0.496 . . . . 0.0 110.142 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.4 tm? -62.02 -35.82 79.7 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.218 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.14 -39.83 93.58 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.318 1.047 . . . . 0.0 110.491 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 52.0 mt-30 -67.9 -36.3 79.97 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.718 0.407 . . . . 0.0 110.381 179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.79 -48.07 78.39 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.199 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 77.6 mt -66.65 -44.89 80.67 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.426 0.454 . . . . 0.0 110.926 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.04 -51.33 56.01 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.55 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.7 t -71.44 -33.16 69.13 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.538 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.72 47.47 1.31 Allowed Glycine 0 C--N 1.347 1.193 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.932 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -83.54 -100.59 0.55 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--O 1.258 1.504 0 C-N-CA 124.129 0.972 . . . . 0.0 108.477 176.856 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 . . . . . 0 CA--C 1.564 1.504 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -88.3 -2.4 6.9 Favored 'Trans proline' 0 C--N 1.392 2.827 0 C-N-CA 121.916 1.744 . . . . 0.0 113.463 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 53.62 68.32 2.96 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.502 1.121 . . . . 0.0 110.268 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -61.54 103.71 0.28 Allowed 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 122.892 2.394 . . . . 0.0 112.218 -173.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.95 -42.84 90.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 115.03 -0.987 . . . . 0.0 111.895 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.1 m 67.69 144.18 0.09 OUTLIER Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 125.1 1.36 . . . . 0.0 112.211 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HD2' ' HG3' ' A' ' 56' ' ' PRO . 32.7 Cg_exo -60.12 100.57 0.14 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.722 2.281 . . . . 0.0 110.071 168.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -46.57 104.05 0.39 Allowed Pre-proline 0 N--CA 1.483 1.176 0 O-C-N 125.07 1.481 . . . . 0.0 112.534 -170.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.02 158.94 45.35 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 121.766 1.644 . . . . 0.0 110.664 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.8 -28.62 67.75 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.47 174.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -65.02 -40.0 94.22 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.36 -47.39 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 117.9 0.318 . . . . 0.0 111.094 -175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -66.56 -34.23 77.43 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.281 178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.443 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 42.7 m0 -67.73 -43.45 79.94 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 123.788 0.68 . . . . 0.0 111.103 178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.5 -32.19 73.58 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.504 0.321 . . . . 0.0 110.716 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 HG23 HH21 ' A' ' 29' ' ' ARG . 29.3 m -73.35 -51.68 16.57 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.814 0.446 . . . . 0.0 111.167 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.7 pt-20 -72.67 -33.94 66.88 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.94 0.496 . . . . 0.0 111.473 -172.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -75.75 -31.07 59.41 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.066 0.546 . . . . 0.0 109.98 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 HH21 HG23 ' A' ' 26' ' ' THR . 64.4 ttp85 -68.0 -35.01 77.6 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.26 0.624 . . . . 0.0 110.647 171.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -69.27 -37.79 78.07 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.819 0.847 . . . . 0.0 109.981 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.64 -35.78 77.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.166 0.586 . . . . 0.0 109.963 171.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.45 -20.62 60.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.775 0.83 . . . . 0.0 111.31 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.626 ' HA ' HH11 ' A' ' 40' ' ' ARG . . . -79.57 -50.19 11.07 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.178 0.591 . . . . 0.0 110.305 174.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.5 p -68.97 -48.15 63.86 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.054 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -72.19 -27.99 62.91 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.005 0.522 . . . . 0.0 111.239 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.88 37.8 12.58 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.721 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -76.02 142.59 41.8 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 123.717 0.807 . . . . 0.0 109.919 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -74.33 -11.96 60.4 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.173 0.589 . . . . 0.0 110.687 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 p -73.82 -7.57 52.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.521 0.728 . . . . 0.0 112.641 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.626 HH11 ' HA ' ' A' ' 33' ' ' ALA . 42.2 ttp180 -55.54 -35.8 66.07 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.35 0.595 . . . . 0.0 110.874 174.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -71.07 -43.41 67.81 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.393 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.65 -32.61 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 122.502 0.321 . . . . 0.0 111.021 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -69.11 -33.97 74.33 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.06 0.544 . . . . 0.0 109.907 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.69 -50.64 56.57 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.486 0.714 . . . . 0.0 110.784 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -70.26 -31.3 68.62 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.003 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.74 69.04 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.962 0.505 . . . . 0.0 110.385 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.3 tp -67.51 -50.67 57.73 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.017 0.527 . . . . 0.0 110.667 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -63.23 -43.13 98.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.361 0.664 . . . . 0.0 111.373 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 72.0 p -60.43 -40.73 92.13 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.516 0.51 . . . . 0.0 110.57 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.74 -34.57 77.1 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 123.812 0.845 . . . . 0.0 110.021 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -67.71 -35.95 79.74 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.511 0.724 . . . . 0.0 111.497 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -94.72 -6.96 41.96 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 123.141 0.275 . . . . 0.0 111.304 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 49' ' ' SER . 15.3 t80 -93.02 105.24 14.3 Favored Pre-proline 0 N--CA 1.476 0.875 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.56 -0.88 9.45 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.991 2.46 . . . . 0.0 113.578 -170.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.07 125.44 77.22 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 109.946 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.526 ' HG3' ' HD2' ' A' ' 17' ' ' PRO . 2.8 Cg_exo -73.94 97.07 0.96 Allowed 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 123.383 2.722 . . . . 0.0 110.534 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 mt -74.01 96.34 2.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.233 0.613 . . . . 0.0 110.273 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -98.35 -21.15 16.77 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.869 0.868 . . . . 0.0 110.753 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.459 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 45.6 t -119.93 144.19 47.58 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.962 0.905 . . . . 0.0 109.604 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.58 -21.47 62.7 Favored Glycine 0 C--N 1.35 1.35 0 O-C-N 123.24 0.338 . . . . 0.0 112.769 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -63.44 -41.36 98.66 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.605 1.162 . . . . 0.0 110.65 172.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 32.2 mt-10 -72.67 -27.91 62.39 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.508 0.723 . . . . 0.0 111.106 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.91 -29.83 55.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.392 0.677 . . . . 0.0 110.971 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 21.8 tptm -60.94 -33.32 73.0 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.682 1.193 . . . . 0.0 112.517 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.8 pt -70.2 -9.77 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.13 124.7 49.56 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.43 0.692 . . . . 0.0 109.273 172.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -77.51 -11.77 59.89 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.002 0.921 . . . . 0.0 112.19 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -64.24 -31.13 72.2 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 122.826 0.451 . . . . 0.0 110.007 171.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . 4.7 m-85 -83.41 -76.55 0.28 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.577 172.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.6 174.84 50.54 Favored Glycine 0 C--N 1.354 1.533 0 CA-C-O 119.699 -0.501 . . . . 0.0 112.682 -174.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -52.96 -45.49 67.76 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.565 0.746 . . . . 0.0 112.358 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -62.41 -52.99 61.39 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.936 0.894 . . . . 0.0 111.907 -174.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 77' ' ' LEU . 1.9 tm? -68.56 -45.9 70.9 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.052 0.941 . . . . 0.0 109.662 -174.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 65.6 m -64.87 -30.64 71.65 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.776 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.66 -42.37 82.28 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 123.709 0.631 . . . . 0.0 110.022 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.3 mtp -59.66 -46.07 90.14 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.988 0.515 . . . . 0.0 110.617 177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD13 HD13 ' A' ' 73' ' ' LEU . 7.6 mp -62.77 -38.39 90.41 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.602 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.57 -48.36 64.42 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.262 1.025 . . . . 0.0 111.61 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 38.2 mm-40 -55.75 -53.18 59.76 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.247 1.019 . . . . 0.0 110.132 177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -65.75 -36.43 83.54 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.397 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.5 -47.24 79.7 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.37 -38.59 91.57 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.208 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 14.9 mm100 -72.03 -29.93 64.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.212 0.605 . . . . 0.0 111.171 -175.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -77.23 -34.05 56.03 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.45 0.7 . . . . 0.0 109.961 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.41 -36.55 74.09 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.361 0.665 . . . . 0.0 110.45 173.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.99 -42.04 60.99 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.794 0.838 . . . . 0.0 111.332 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.5 t -76.2 -58.01 3.53 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.624 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.76 43.48 2.87 Favored Glycine 0 C--N 1.347 1.154 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.595 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -91.26 -26.49 21.04 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-O 119.706 -0.497 . . . . 0.0 113.649 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 119.022 -0.513 . . . . 0.0 110.027 -177.66 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.26 -37.04 64.73 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.161 2.574 . . . . 0.0 112.289 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.6 mt -114.8 93.26 33.11 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 124.226 1.01 . . . . 0.0 108.34 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -84.51 33.1 0.49 Allowed 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 123.572 2.848 . . . . 0.0 112.639 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.63 -33.54 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 124.327 1.051 . . . . 0.0 111.037 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 6.2 p -68.6 130.45 91.95 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 123.321 0.648 . . . . 0.0 109.891 171.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 16' ' ' CYS . 15.2 Cg_exo -68.03 91.49 0.38 Allowed 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.696 2.264 . . . . 0.0 111.727 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.7 127.52 82.06 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 123.086 0.554 . . . . 0.0 109.691 177.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HB2' HG23 ' A' ' 22' ' ' VAL . 24.2 Cg_exo -63.15 -25.03 72.83 Favored 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.9 2.4 . . . . 0.0 112.775 -177.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 38.6 tp 76.63 -52.12 0.58 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.193 1.397 . . . . 0.0 113.52 167.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -65.19 -21.16 66.73 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.533 . . . . 0.0 111.527 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' HB2' ' A' ' 19' ' ' PRO . 78.9 t -62.01 -55.7 22.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 122.992 0.517 . . . . 0.0 109.966 174.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 6.3 ptp180 -63.72 -36.05 82.58 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 123.265 0.353 . . . . 0.0 110.696 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -67.62 -51.89 44.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 123.706 0.802 . . . . 0.0 111.579 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.47 -28.8 70.21 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.43 0.292 . . . . 0.0 111.526 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -74.89 -44.98 45.86 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.899 0.479 . . . . 0.0 111.249 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -71.96 -38.83 69.7 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.602 0.361 . . . . 0.0 111.015 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HZ2' ' HE2' ' A' ' 80' ' ' LYS . 33.0 m0 -72.64 -34.38 67.24 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.935 0.494 . . . . 0.0 110.422 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -62.91 -39.45 94.57 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.437 0.695 . . . . 0.0 110.459 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.39 -42.09 72.17 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.82 0.7 . . . . 0.0 110.032 -178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.53 -37.18 86.65 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.105 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.46 -32.24 71.04 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.978 -0.451 . . . . 0.0 111.01 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.15 -37.23 58.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.955 0.902 . . . . 0.0 111.548 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 t -97.51 -57.77 2.17 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.26 0.624 . . . . 0.0 111.265 -173.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -65.41 -52.04 56.14 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.415 0.686 . . . . 0.0 110.554 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 121.45 68.35 0.26 Allowed Glycine 0 C--N 1.345 1.067 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.34 172.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -117.17 135.87 53.46 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -74.54 -4.07 34.68 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.336 0.654 . . . . 0.0 112.61 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.9 p -79.69 4.64 15.56 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.427 0.691 . . . . 0.0 111.388 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.2 tpt85 -51.18 -43.62 61.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.71 1.204 . . . . 0.0 111.757 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -72.65 -46.13 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 124.277 0.986 . . . . 0.0 111.193 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.3 p -71.93 -33.19 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.295 0.238 . . . . 0.0 111.287 -176.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -76.25 -29.86 57.65 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.133 0.573 . . . . 0.0 111.172 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.18 -48.64 75.17 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.89 0.476 . . . . 0.0 110.424 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -75.09 -34.87 61.8 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.553 0.533 . . . . 0.0 111.962 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.14 89.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.616 0.722 . . . . 0.0 110.098 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 55.3 tp -68.69 -40.42 80.07 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.571 177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -58.36 -48.08 81.72 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.428 0.691 . . . . 0.0 110.438 -174.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.7 p -59.59 -48.26 82.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 114.638 -1.164 . . . . 0.0 110.435 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD13 HD12 ' A' ' 57' ' ' LEU . 22.7 tp -62.89 -30.09 71.26 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 123.599 0.76 . . . . 0.0 112.299 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.9 mm100 -70.35 -41.65 72.88 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.662 0.385 . . . . 0.0 110.319 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 10.9 ptt180 -100.88 15.6 27.98 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.41 0.684 . . . . 0.0 111.941 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -130.0 93.96 32.4 Favored Pre-proline 0 N--CA 1.479 0.992 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 170.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.88 37.19 0.65 Allowed 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 123.718 2.946 . . . . 0.0 113.934 -170.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD12 HD23 ' A' ' 57' ' ' LEU . 2.1 tm? -83.56 130.36 56.34 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 173.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.439 ' HD2' HD22 ' A' ' 55' ' ' LEU . 55.9 Cg_endo -67.43 88.22 0.33 Allowed 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.322 2.015 . . . . 0.0 111.841 173.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD23 HD12 ' A' ' 55' ' ' LEU . 79.3 mt -74.14 104.19 4.85 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 171.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -99.92 -45.21 5.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.799 0.839 . . . . 0.0 109.76 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.61 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 37.3 t -90.28 144.77 25.53 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -64.41 -25.9 70.32 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.433 173.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -64.0 -33.1 74.96 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.492 0.717 . . . . 0.0 111.15 173.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 39.4 mt-10 -68.82 -28.32 66.64 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 122.616 0.366 . . . . 0.0 111.081 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -68.04 -15.12 63.46 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.292 0.637 . . . . 0.0 112.437 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.634 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 22.0 tptm -67.93 -26.26 65.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 0.0 112.199 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.2 pt -63.97 -24.85 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 122.761 0.424 . . . . 0.0 111.476 -175.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.45 111.88 23.96 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 123.758 0.823 . . . . 0.0 108.93 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -77.07 -2.44 34.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.946 0.898 . . . . 0.0 112.112 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -70.63 -29.29 65.62 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -68.47 0.48 Allowed 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 167.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.71 172.19 34.62 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.499 -170.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -66.39 -42.5 87.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.378 0.671 . . . . 0.0 112.036 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -67.42 -44.82 77.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.552 0.741 . . . . 0.0 111.375 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.433 HD13 HD13 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -63.13 -44.95 94.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.876 0.871 . . . . 0.0 109.477 178.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.634 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 10.3 t -57.39 -39.64 76.52 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.516 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -70.46 -34.81 72.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.585 0.553 . . . . 0.0 110.912 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.55 -48.16 83.0 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.79 0.329 . . . . 0.0 110.485 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.433 HD13 HD13 ' A' ' 73' ' ' LEU . 9.4 mp -68.01 -30.09 69.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.746 0.818 . . . . 0.0 111.949 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.501 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 31.6 t70 -69.83 -45.63 67.4 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.826 0.85 . . . . 0.0 110.368 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 15.4 mm-40 -61.68 -52.95 62.2 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.104 175.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HE2' ' HZ2' ' A' ' 28' ' ' TRP . 29.3 mmmt -57.75 -41.98 83.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.611 0.764 . . . . 0.0 112.075 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.23 -48.13 83.06 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.831 0.452 . . . . 0.0 110.006 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -31.86 73.19 Favored 'General case' 0 CA--C 1.553 1.074 0 O-C-N 123.633 0.583 . . . . 0.0 111.235 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.4 mt-30 -73.79 -31.51 63.31 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.003 0.521 . . . . 0.0 110.239 178.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -71.99 -34.11 68.66 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.867 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.58 -32.43 66.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.923 0.489 . . . . 0.0 109.943 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.51 88.7 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.603 0.761 . . . . 0.0 110.815 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.3 p -80.01 -21.45 43.57 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.297 0.639 . . . . 0.0 111.242 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.44 -120.37 5.17 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 116.323 -0.399 . . . . 0.0 112.519 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 168.56 -45.16 0.23 Allowed Glycine 0 C--N 1.341 0.854 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 C--O 1.253 1.255 0 C-N-CA 123.913 0.885 . . . . 0.0 109.087 -178.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.43 -146.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.772 2.315 . . . . 0.0 111.019 169.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 51.1 tp 66.73 85.82 0.15 Allowed Pre-proline 0 N--CA 1.484 1.225 0 C-N-CA 124.469 1.107 . . . . 0.0 110.882 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HB2' ' HG3' ' A' ' 17' ' ' PRO . 8.9 Cg_exo -73.89 135.38 21.25 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.643 2.228 . . . . 0.0 111.732 175.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.7 t -71.36 -60.38 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.067 0.547 . . . . 0.0 110.763 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -144.18 79.23 13.11 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.032 0.533 . . . . 0.0 109.988 177.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 50.3 Cg_endo -85.63 135.29 4.97 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.719 2.279 . . . . 0.0 112.219 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.21 -54.02 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.168 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.897 170.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -75.85 167.13 26.85 Favored 'Trans proline' 0 C--N 1.396 3.047 0 CA-C-N 121.076 1.42 . . . . 0.0 110.887 167.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.35 -27.45 60.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.816 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -63.33 -44.24 95.49 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.229 1.012 . . . . 0.0 112.096 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.26 -45.77 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 123.407 0.442 . . . . 0.0 110.979 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -71.77 -30.59 65.72 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.916 0.486 . . . . 0.0 111.109 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -68.68 -45.15 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.036 0.534 . . . . 0.0 110.237 175.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . 76.7 mt -66.06 -29.93 70.36 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 122.325 -0.234 . . . . 0.0 111.335 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.43 ' HA ' HD22 ' A' ' 47' ' ' LEU . 99.3 m -66.97 -49.81 64.25 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.434 0.694 . . . . 0.0 110.867 177.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -67.39 -46.96 71.71 Favored 'General case' 0 C--O 1.199 -1.553 0 O-C-N 123.77 0.669 . . . . 0.0 109.982 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -64.21 -35.44 80.81 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.291 0.636 . . . . 0.0 111.946 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.9 ttp85 -64.39 -51.31 63.9 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.618 0.723 . . . . 0.0 110.983 176.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -70.79 -41.33 71.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.464 -174.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.16 -34.31 77.78 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 124.503 1.121 . . . . 0.0 110.559 174.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.574 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -60.89 -41.32 95.81 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 177.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.09 70.18 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.722 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 m -78.2 -16.31 57.99 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.726 0.81 . . . . 0.0 113.172 -171.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -104.04 -37.8 7.21 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.459 0.704 . . . . 0.0 109.591 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.97 21.86 6.51 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.807 -0.633 . . . . 0.0 113.197 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.1 mpt_? -74.95 140.95 44.06 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.3 0.64 . . . . 0.0 109.951 172.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -79.78 -5.58 55.62 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.862 0.865 . . . . 0.0 111.002 175.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 p -75.12 8.59 2.5 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.166 0.986 . . . . 0.0 112.817 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -49.93 -50.34 46.74 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.905 1.282 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -72.97 -41.23 64.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.0 0.92 . . . . 0.0 111.466 -169.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 p -69.86 -40.52 78.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 122.923 0.489 . . . . 0.0 110.676 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.38 -28.81 61.27 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.821 0.448 . . . . 0.0 110.875 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -56.45 18.21 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.378 0.671 . . . . 0.0 109.848 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -70.89 -37.05 72.98 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.879 0.737 . . . . 0.0 112.137 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.35 71.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.177 0.591 . . . . 0.0 110.722 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.9 tp -62.49 -48.58 78.97 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.896 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -53.77 -41.47 67.2 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.288 0.993 . . . . 0.0 110.72 -177.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 58.7 m -64.44 -47.04 80.57 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.367 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' HG ' HD12 ' A' ' 57' ' ' LEU . 4.3 tt -62.69 -35.63 80.32 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.165 0.586 . . . . 0.0 110.276 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.5 mm-40 -65.28 -38.62 90.84 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.013 0.925 . . . . 0.0 110.855 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -96.32 -2.41 45.88 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.085 0.554 . . . . 0.0 112.166 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' A' ' 49' ' ' SER . 5.5 t80 -84.96 120.61 73.84 Favored Pre-proline 0 N--CA 1.481 1.089 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -175.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 55' ' ' LEU . 73.8 Cg_endo -73.78 -13.73 24.33 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.83 2.353 . . . . 0.0 113.143 -175.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 54' ' ' PRO . 6.4 mp -85.2 130.77 50.61 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -81.17 98.09 1.02 Allowed 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 122.952 2.435 . . . . 0.0 111.07 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD12 ' HG ' ' A' ' 50' ' ' LEU . 76.3 mt -74.16 96.87 2.82 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.225 -176.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -99.89 0.17 40.79 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.915 0.886 . . . . 0.0 110.494 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -142.55 148.33 37.4 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.419 174.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -69.94 -20.5 76.22 Favored Glycine 0 C--N 1.349 1.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.881 173.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -58.56 -36.31 73.71 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.485 1.114 . . . . 0.0 110.999 169.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 40.4 mt-10 -80.82 -33.78 34.46 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.782 0.833 . . . . 0.0 110.833 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.09 62.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.123 0.569 . . . . 0.0 111.093 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 64.2 tttp -56.41 -36.01 68.44 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.061 1.344 . . . . 0.0 112.827 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 62' ' ' GLU . 17.6 pt -66.21 -25.6 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.033 0.533 . . . . 0.0 111.588 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -84.14 115.73 22.55 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.99 -13.89 62.72 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.027 174.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -59.9 -33.49 71.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.327 1.051 . . . . 0.0 111.345 172.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.41 -66.85 0.86 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 124.525 1.13 . . . . 0.0 108.412 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.04 152.35 20.01 Favored Glycine 0 C--N 1.346 1.129 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -169.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.47 -49.92 75.58 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.25 0.62 . . . . 0.0 112.291 -177.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -62.15 -40.27 95.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.536 0.734 . . . . 0.0 110.62 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD13 HD13 ' A' ' 77' ' ' LEU . 2.0 tm? -58.57 -53.25 60.48 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 124.265 0.978 . . . . 0.0 109.063 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 60.9 m -66.72 -28.12 68.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.881 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -71.35 -35.89 71.33 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.835 0.71 . . . . 0.0 110.171 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 90.3 mmm -62.25 -48.13 81.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.83 0.452 . . . . 0.0 110.117 173.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.45 HD13 HD13 ' A' ' 73' ' ' LEU . 10.9 mp -60.6 -40.76 92.97 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.702 0.801 . . . . 0.0 112.177 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.427 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 16.3 t70 -70.49 -42.83 70.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.638 0.775 . . . . 0.0 110.091 -175.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.9 mm-40 -66.25 -37.57 85.81 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.944 -1.026 . . . . 0.0 111.141 175.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -62.32 -48.27 80.59 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.128 0.571 . . . . 0.0 111.517 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.86 -41.13 86.3 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 121.573 0.701 . . . . 0.0 109.622 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.59 -38.62 91.82 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.828 1.251 . . . . 0.0 111.317 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.9 mt-30 -73.2 -32.6 64.89 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 123.865 0.866 . . . . 0.0 110.448 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -60.77 -42.81 98.23 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.421 1.088 . . . . 0.0 109.879 174.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.53 -38.51 48.6 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.491 0.717 . . . . 0.0 111.599 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.94 75.85 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.726 0.811 . . . . 0.0 111.157 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.7 t -81.88 -27.62 33.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.631 0.772 . . . . 0.0 110.191 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.04 24.64 76.91 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 -173.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.91 91.12 1.71 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.552 1.039 0 C-N-CA 123.729 0.812 . . . . 0.0 109.627 -179.627 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 . . . . . 0 CA--C 1.564 1.494 0 CA-C-O 118.528 -0.749 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -86.01 41.65 0.88 Allowed 'Trans proline' 0 C--N 1.394 2.928 0 C-N-CA 121.971 1.78 . . . . 0.0 113.075 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -130.7 80.75 69.24 Favored Pre-proline 0 N--CA 1.483 1.186 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -86.1 -17.4 3.84 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.777 2.318 . . . . 0.0 112.978 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.32 149.67 6.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 123.544 0.738 . . . . 0.0 111.325 -173.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.1 131.94 80.36 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.652 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.5 75.6 4.86 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.391 2.06 . . . . 0.0 109.182 171.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.407 HD22 HG21 ' A' ' 22' ' ' VAL . 23.0 m120 -62.41 113.92 10.31 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.449 -168.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HD2' HG13 ' A' ' 22' ' ' VAL . 30.3 Cg_endo -93.21 -166.36 0.15 Allowed 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 123.29 2.66 . . . . 0.0 112.572 173.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.81 -26.91 68.55 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.375 0.67 . . . . 0.0 112.079 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.63 -37.1 86.43 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.244 0.618 . . . . 0.0 112.195 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.451 HG13 ' HD2' ' A' ' 19' ' ' PRO . 36.0 m -67.55 -45.68 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 117.839 0.29 . . . . 0.0 110.992 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -68.38 -32.6 72.8 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.486 0.184 . . . . 0.0 110.752 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -66.74 -50.07 63.94 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.249 0.62 . . . . 0.0 110.61 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.18 -30.02 71.1 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.789 0.436 . . . . 0.0 111.417 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.8 m -70.0 -49.97 46.21 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.487 0.715 . . . . 0.0 111.104 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.13 -40.45 68.07 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.477 -174.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.461 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 39.7 m0 -64.59 -36.33 83.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.806 0.442 . . . . 0.0 110.69 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -56.15 -58.79 6.47 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.89 0.876 . . . . 0.0 110.957 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -79.05 -36.02 41.66 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.322 -168.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.012 0.525 . . . . 0.0 111.288 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 37' ' ' ARG . . . -63.2 -48.41 78.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.729 0.412 . . . . 0.0 110.063 175.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.524 ' HB2' ' HD2' ' A' ' 40' ' ' ARG . . . -61.44 -39.39 90.64 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.196 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.6 t -69.87 -30.15 67.55 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.267 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -85.27 -26.87 26.37 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.697 0.799 . . . . 0.0 110.685 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.73 -24.21 5.52 Favored Glycine 0 C--N 1.351 1.372 0 C-N-CA 123.11 0.386 . . . . 0.0 112.805 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 31.7 mmt180 -58.88 134.92 57.34 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.874 0.869 . . . . 0.0 111.58 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -88.03 8.84 24.66 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.424 0.69 . . . . 0.0 110.312 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -69.53 -2.24 10.84 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.53 0.732 . . . . 0.0 111.623 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HD2' ' HB2' ' A' ' 33' ' ' ALA . 45.2 ttt180 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 123.088 0.555 . . . . 0.0 110.4 171.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -69.67 -35.93 75.57 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.142 -172.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.39 -37.57 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 117.864 0.302 . . . . 0.0 110.492 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -69.72 -29.31 66.67 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.376 0.67 . . . . 0.0 110.424 173.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.31 -54.99 18.22 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.41 1.084 . . . . 0.0 110.834 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -72.7 -28.46 62.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.806 0.442 . . . . 0.0 111.529 -176.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.26 93.75 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.281 0.632 . . . . 0.0 109.938 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.36 -50.04 69.28 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.557 -1.202 . . . . 0.0 111.105 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.6 mmp_? -58.79 -39.29 80.65 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.854 0.862 . . . . 0.0 111.049 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 32.3 t -65.67 -45.46 82.79 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.359 176.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 57' ' ' LEU . 45.0 tp -63.79 -39.14 93.54 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.941 0.896 . . . . 0.0 111.647 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -67.36 -41.57 84.89 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.478 0.711 . . . . 0.0 110.911 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -81.48 -20.82 39.38 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.636 0.374 . . . . 0.0 111.271 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 7.8 t80 -76.2 117.19 62.36 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.587 0.755 . . . . 0.0 110.047 -172.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -76.33 -17.55 16.63 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.978 2.452 . . . . 0.0 113.001 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 1.9 tm? -76.32 119.82 78.98 Favored Pre-proline 0 CA--C 1.554 1.131 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.18 101.93 1.18 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.607 2.205 . . . . 0.0 112.014 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 50' ' ' LEU . 91.4 mt -77.06 101.7 6.18 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -84.27 -22.7 30.66 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.523 1.129 . . . . 0.0 110.413 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.8 m -136.71 158.61 44.04 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.187 0.995 . . . . 0.0 110.582 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.45 -16.48 79.97 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.999 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -61.2 -34.65 75.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.608 1.163 . . . . 0.0 110.519 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 65' ' ' ILE . 46.3 mt-10 -83.25 -26.78 30.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.258 0.623 . . . . 0.0 110.058 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.78 60.43 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.959 0.503 . . . . 0.0 111.569 173.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 56.0 tttp -62.62 -32.73 73.8 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.427 1.091 . . . . 0.0 111.389 176.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 62' ' ' GLU . 14.4 pt -69.58 -11.79 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 122.687 0.395 . . . . 0.0 111.332 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mp -104.68 113.5 27.12 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 123.413 0.685 . . . . 0.0 109.647 173.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -71.61 -9.65 58.57 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.039 0.935 . . . . 0.0 111.111 173.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -57.67 -39.78 77.87 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.31 1.044 . . . . 0.0 110.581 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.498 ' HB3' HD22 ' A' ' 73' ' ' LEU . 3.1 m-85 -76.33 -54.39 6.84 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 97.58 145.38 18.93 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.211 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -50.31 -39.41 45.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.04 1.336 . . . . 0.0 113.408 -171.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' NH2' ' HG3' ' A' ' 75' ' ' ARG . 5.1 mmp_? -73.43 -40.18 64.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.02 0.528 . . . . 0.0 111.455 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 69' ' ' PHE . 6.8 tt -69.56 -37.37 76.98 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.116 0.566 . . . . 0.0 109.719 178.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 71.9 m -63.19 -36.23 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.211 1.004 . . . . 0.0 110.051 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.426 ' HG3' ' NH2' ' A' ' 72' ' ' ARG . 20.4 mmt180 -67.14 -46.72 73.23 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.712 172.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.7 mmm -59.98 -39.81 86.98 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.256 0.551 . . . . 0.0 110.01 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 tp -69.29 -45.13 70.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.094 1.358 . . . . 0.0 110.796 -174.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -74.63 -35.09 62.88 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 41.6 mt-10 -68.46 -38.86 81.46 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.81 0.844 . . . . 0.0 110.831 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.1 mmmt -64.38 -44.85 90.08 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.091 0.556 . . . . 0.0 110.949 173.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.8 tm? -61.56 -35.2 77.11 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -67.48 -40.9 85.28 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.5 mt-30 -65.48 -34.81 79.15 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 123.124 0.569 . . . . 0.0 109.873 -178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -59.67 -49.22 78.59 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.747 1.219 . . . . 0.0 109.999 171.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 75.0 mt -72.67 -21.88 61.0 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.344 0.658 . . . . 0.0 112.077 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.8 -60.06 2.07 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.929 0.491 . . . . 0.0 111.054 -173.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.0 m -75.29 -37.94 60.61 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.254 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.7 -28.95 20.15 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 116.305 -0.407 . . . . 0.0 112.989 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.92 -85.92 0.77 Allowed Glycine 0 C--N 1.345 1.052 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 124.113 0.965 . . . . 0.0 108.779 178.057 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.06 83.66 0.56 Allowed 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.562 2.175 . . . . 0.0 111.43 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.23 148.59 98.27 Favored Pre-proline 0 CA--C 1.556 1.191 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.61 -176.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -59.96 107.9 0.44 Allowed 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 122.898 2.398 . . . . 0.0 113.044 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.59 -31.57 32.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.252 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.7 m -85.63 160.79 52.67 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 124.524 1.129 . . . . 0.0 109.72 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.11 140.93 80.75 Favored 'Trans proline' 0 C--N 1.381 2.271 0 C-N-CA 122.627 2.218 . . . . 0.0 112.034 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.45 136.6 95.93 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 123.72 0.808 . . . . 0.0 110.102 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' VAL . 26.8 Cg_endo -58.9 142.36 99.07 Favored 'Trans proline' 0 C--N 1.391 2.78 0 C-N-CA 123.166 2.578 . . . . 0.0 112.146 -177.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.5 tp -78.93 -28.6 43.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.543 0.737 . . . . 0.0 112.057 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -72.05 -21.13 61.57 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.158 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 19' ' ' PRO . 9.9 p -70.22 -39.65 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 118.016 0.371 . . . . 0.0 110.29 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -74.06 -36.49 64.34 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -65.18 -42.33 93.72 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.874 0.734 . . . . 0.0 111.296 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 77' ' ' LEU . 73.0 mt -73.07 -30.88 64.01 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.484 0.314 . . . . 0.0 111.388 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.5 m -66.88 -47.72 70.98 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 123.164 0.29 . . . . 0.0 110.692 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.52 -43.89 68.7 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 123.514 0.509 . . . . 0.0 110.52 -175.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -65.18 -30.94 71.89 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 118.204 0.456 . . . . 0.0 111.613 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -68.59 -46.23 69.9 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.783 0.833 . . . . 0.0 110.96 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.36 -40.21 77.63 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.629 0.772 . . . . 0.0 110.779 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -68.62 -35.41 77.27 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 124.067 0.947 . . . . 0.0 109.545 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.65 72.79 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.081 0.552 . . . . 0.0 111.132 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.78 63.06 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.002 0.43 . . . . 0.0 110.508 172.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -74.14 -21.73 59.74 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 123.619 0.768 . . . . 0.0 112.428 -175.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -109.53 -1.61 18.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.587 0.755 . . . . 0.0 111.136 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.17 14.77 81.57 Favored Glycine 0 C--N 1.352 1.429 0 N-CA-C 114.223 0.449 . . . . 0.0 114.223 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -67.6 135.47 52.95 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.775 0.83 . . . . 0.0 110.554 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -80.06 -9.39 59.69 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.308 0.643 . . . . 0.0 112.037 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -79.5 5.13 13.66 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.798 0.839 . . . . 0.0 112.781 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -56.5 -40.98 75.9 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.013 0.525 . . . . 0.0 112.167 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.77 -35.03 67.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 8.6 p -76.68 -32.06 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 122.489 0.316 . . . . 0.0 110.265 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -69.79 -33.17 72.0 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.844 0.458 . . . . 0.0 110.529 171.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -52.11 32.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.059 0.944 . . . . 0.0 109.604 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 19.3 ptpt -71.48 -30.21 65.72 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.36 0.413 . . . . 0.0 111.442 -175.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.44 76.1 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.013 0.525 . . . . 0.0 109.918 175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 54.6 tp -58.32 -50.76 72.49 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.819 173.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -60.59 -38.11 83.59 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.379 1.072 . . . . 0.0 110.615 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 t -69.14 -34.91 75.76 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.18 -1.373 . . . . 0.0 110.933 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.663 ' HG ' HD12 ' A' ' 57' ' ' LEU . 6.7 tt -73.24 -41.48 63.67 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.449 0.7 . . . . 0.0 109.565 178.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 47' ' ' LEU . 57.6 mt-30 -61.87 -35.2 77.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.924 0.89 . . . . 0.0 111.578 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -85.68 -35.17 21.04 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 122.803 0.441 . . . . 0.0 111.81 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -72.83 118.19 66.09 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.274 0.63 . . . . 0.0 109.635 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.99 43.75 1.44 Allowed 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.844 2.363 . . . . 0.0 112.871 -173.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.7 tp -122.81 127.56 25.7 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 123.296 0.638 . . . . 0.0 109.781 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.55 89.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.559 2.839 . . . . 0.0 112.576 170.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.663 HD12 ' HG ' ' A' ' 50' ' ' LEU . 95.7 mt -82.47 91.29 6.85 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.183 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.03 -26.76 10.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.259 0.624 . . . . 0.0 109.864 169.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 m -86.0 123.91 31.85 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 78' ' ' ASP . . . -65.48 -23.95 70.61 Favored Glycine 0 C--N 1.35 1.34 0 O-C-N 123.429 0.456 . . . . 0.0 113.781 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -58.85 -32.3 69.31 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.515 1.126 . . . . 0.0 111.451 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -88.28 6.8 35.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.551 0.74 . . . . 0.0 112.452 -175.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.32 -42.45 25.68 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 122.525 0.33 . . . . 0.0 110.851 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 34.7 ttpt -71.79 -15.68 62.17 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -173.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 pt -66.75 -19.33 25.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 122.492 0.317 . . . . 0.0 111.171 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 69' ' ' PHE . 2.8 mp -97.46 141.0 31.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.27 0.628 . . . . 0.0 109.357 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -66.86 -28.08 68.05 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.098 0.959 . . . . 0.0 113.132 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -72.39 -21.21 61.31 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 7.4 m-85 -84.1 -81.62 0.17 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.99 179.93 41.38 Favored Glycine 0 N--CA 1.473 1.143 0 CA-C-O 120.093 -0.282 . . . . 0.0 112.408 -174.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.81 -48.05 80.8 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.76 0.824 . . . . 0.0 112.934 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -64.5 -46.22 83.93 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.285 0.634 . . . . 0.0 110.778 -176.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.01 -50.45 62.15 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.717 -176.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 38.8 t -61.28 -34.06 74.57 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.623 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.53 -34.96 75.0 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.711 0.632 . . . . 0.0 110.21 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 88.5 mmm -59.16 -52.05 67.35 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.715 0.406 . . . . 0.0 110.2 172.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 25' ' ' LEU . 10.2 mp -62.91 -39.18 93.75 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.229 0.611 . . . . 0.0 111.949 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.473 ' HA ' ' HA3' ' A' ' 60' ' ' GLY . 25.7 t70 -74.72 -41.07 60.84 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.212 0.605 . . . . 0.0 111.381 -174.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.5 mm-40 -64.4 -51.75 61.69 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.131 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -60.15 -42.56 95.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 122.991 0.517 . . . . 0.0 111.477 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.87 -39.57 94.83 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.034 0.534 . . . . 0.0 109.881 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -61.52 -39.69 91.92 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.585 177.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mm-40 -76.09 -35.62 59.28 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.488 0.315 . . . . 0.0 110.473 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -52.7 -50.63 62.94 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.963 1.305 . . . . 0.0 110.255 173.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 90' ' ' ASP . 90.3 mt -65.77 -50.3 65.26 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.265 176.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.84 -18.47 64.18 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -108.91 -13.09 14.81 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.987 0.515 . . . . 0.0 112.109 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.81 -56.02 0.02 OUTLIER Glycine 0 C--N 1.357 1.699 0 C-N-CA 120.693 -0.765 . . . . 0.0 114.927 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.39 -23.83 58.44 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 115.391 0.917 . . . . 0.0 115.391 -170.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 85' ' ' LEU . 20.8 t70 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 124.498 1.119 . . . . 0.0 108.965 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 2.7 Cg_exo -75.06 96.98 1.04 Allowed 'Trans proline' 0 C--N 1.374 1.87 0 C-N-CA 122.301 2.001 . . . . 0.0 110.114 176.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -106.67 109.95 63.43 Favored Pre-proline 0 CA--C 1.548 0.902 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.0 95.59 0.91 Allowed 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.367 2.045 . . . . 0.0 111.023 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -74.08 -6.01 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.483 178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.0 m -85.1 107.5 12.03 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.247 1.019 . . . . 0.0 110.123 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.22 97.37 1.13 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.586 2.191 . . . . 0.0 110.559 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -155.88 -46.85 0.01 OUTLIER Pre-proline 0 CA--C 1.562 1.412 0 C-N-CA 124.09 0.956 . . . . 0.0 111.369 -178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.487 ' O ' HG22 ' A' ' 22' ' ' VAL . 38.4 Cg_exo -62.6 100.96 0.24 Allowed 'Trans proline' 0 C--N 1.394 2.934 0 CA-C-N 121.096 1.427 . . . . 0.0 110.408 168.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 mt -63.99 -20.76 66.14 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.62 0.768 . . . . 0.0 112.218 -172.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 50' ' ' LEU . 18.7 m-30 -70.26 -21.13 63.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.005 -177.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 19' ' ' PRO . 19.9 m -66.28 -43.9 91.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -73.0 -34.91 66.7 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 122.562 0.345 . . . . 0.0 110.112 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -71.61 -34.72 70.1 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 123.747 0.654 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.609 HD21 HD21 ' A' ' 73' ' ' LEU . 71.4 mt -76.48 -28.27 56.41 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.583 0.353 . . . . 0.0 111.717 174.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.5 m -69.55 -49.46 54.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.849 0.459 . . . . 0.0 110.407 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.03 -38.87 83.02 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.499 0.319 . . . . 0.0 110.949 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -68.31 -40.29 81.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.066 0.546 . . . . 0.0 111.099 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HG2' ' NH1' ' A' ' 40' ' ' ARG . 19.9 ttp85 -62.41 -37.36 85.52 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 123.814 0.696 . . . . 0.0 109.999 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.49 -46.44 72.92 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.648 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -66.51 -35.27 79.85 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.576 0.75 . . . . 0.0 110.712 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.6 -22.48 56.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.875 0.87 . . . . 0.0 111.206 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HB2' ' NH1' ' A' ' 40' ' ' ARG . . . -75.67 -58.92 3.0 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 171.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.5 m -61.57 -46.67 88.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.406 1.082 . . . . 0.0 112.052 -172.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -81.54 -18.21 45.77 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.855 0.862 . . . . 0.0 110.59 -175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.92 82.1 0.45 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.64 144.24 50.97 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.03 0.932 . . . . 0.0 109.001 -174.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -61.29 -31.54 71.38 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.055 0.455 . . . . 0.0 110.44 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.1 p -67.97 -5.2 15.94 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.508 1.123 . . . . 0.0 113.545 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' NH1' ' HG2' ' A' ' 29' ' ' ARG . 20.4 tpt180 -51.01 -45.41 61.22 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.594 0.758 . . . . 0.0 111.125 173.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -73.06 -36.74 66.93 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.946 -174.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.46 -39.21 47.8 Favored 'Isoleucine or valine' 0 C--N 1.361 1.076 0 CA-C-N 117.509 0.14 . . . . 0.0 110.777 -177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.6 -33.15 73.55 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.844 0.457 . . . . 0.0 110.408 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -63.73 -56.28 16.82 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 123.96 0.904 . . . . 0.0 110.784 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -71.33 -29.39 64.95 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.604 0.565 . . . . 0.0 111.663 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.061 0.545 . . . . 0.0 110.361 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 49.7 tp -64.03 -42.52 97.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.483 176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -63.89 -40.15 95.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.063 0.545 . . . . 0.0 111.231 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 69.9 m -65.11 -37.54 87.79 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.412 0.685 . . . . 0.0 110.842 176.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.642 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.5 tt -68.18 -39.79 82.42 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.529 0.732 . . . . 0.0 109.487 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.68 -44.83 92.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.556 0.742 . . . . 0.0 111.24 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' A' ' 12' ' ' PRO . 16.4 ptm180 -77.95 -17.66 56.94 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.574 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 49' ' ' SER . 3.3 t80 -77.62 118.78 74.24 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.041 0.536 . . . . 0.0 109.759 -178.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -84.76 25.38 0.7 Allowed 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 122.841 2.36 . . . . 0.0 113.608 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -112.3 137.02 21.4 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 123.264 0.626 . . . . 0.0 109.521 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.0 93.18 1.08 Allowed 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.726 2.284 . . . . 0.0 111.345 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.642 HD12 ' HG ' ' A' ' 50' ' ' LEU . 65.8 mt -79.45 105.48 10.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.3 0.64 . . . . 0.0 110.387 -176.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -132.45 -3.68 3.38 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.713 0.805 . . . . 0.0 110.71 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.664 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 40.8 t -120.84 138.05 54.25 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 170.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.77 -24.79 62.81 Favored Glycine 0 C--N 1.348 1.212 0 O-C-N 123.471 0.482 . . . . 0.0 113.356 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -63.6 -44.69 93.25 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.895 0.878 . . . . 0.0 110.163 171.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.664 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 15.3 mm-40 -72.17 -25.36 61.66 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.415 0.686 . . . . 0.0 110.975 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.94 -21.45 34.1 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.963 0.505 . . . . 0.0 111.273 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.57 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 52.2 tttm -72.68 -29.14 63.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.726 0.81 . . . . 0.0 112.035 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 pt -63.86 -17.42 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 C-N-CA 122.702 0.401 . . . . 0.0 111.583 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mp -92.4 105.88 17.98 Favored 'General case' 0 C--N 1.349 0.586 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -77.09 -9.56 58.81 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -65.25 -25.24 67.58 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.98 0.912 . . . . 0.0 110.368 172.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.634 ' HB3' HD22 ' A' ' 73' ' ' LEU . 1.5 m-30 -77.68 -50.82 11.67 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.924 0.89 . . . . 0.0 109.27 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.43 153.21 30.07 Favored Glycine 0 C--N 1.342 0.909 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.574 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.11 -46.39 44.77 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 124.816 1.246 . . . . 0.0 112.562 -174.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -63.19 -52.09 63.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.935 0.894 . . . . 0.0 110.224 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.0 tt -65.3 -40.02 93.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.008 0.923 . . . . 0.0 110.906 -175.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 78.5 m -61.47 -37.67 84.45 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.565 0.746 . . . . 0.0 111.022 178.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.82 -35.42 67.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.036 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.5 mtp -64.43 -41.09 96.78 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.586 0.754 . . . . 0.0 110.802 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -61.26 -43.76 98.34 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.051 0.94 . . . . 0.0 110.955 172.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.36 -31.96 73.06 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.069 0.948 . . . . 0.0 111.147 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.48 -48.25 50.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.592 0.757 . . . . 0.0 110.519 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.62 -50.34 74.18 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.926 0.49 . . . . 0.0 110.817 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.26 -43.13 78.44 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 124.347 1.029 . . . . 0.0 110.203 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -61.7 -49.88 74.71 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.167 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -74.66 -34.15 62.64 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.974 0.51 . . . . 0.0 111.124 -170.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -64.76 -52.9 54.53 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 124.029 0.831 . . . . 0.0 109.571 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.3 mt -70.77 -24.22 62.55 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.695 0.622 . . . . 0.0 111.257 -178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.1 -40.18 75.08 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.084 0.554 . . . . 0.0 109.987 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.0 t -77.52 -24.92 49.91 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.437 0.695 . . . . 0.0 110.88 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 164.27 130.34 1.12 Allowed Glycine 0 C--N 1.346 1.119 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.58 147.8 45.4 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 116.796 0.298 . . . . 0.0 113.19 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.936 -172.684 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 35.2 mmt180 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.335 -0.364 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 11.8 Cg_exo -70.19 108.13 2.09 Favored 'Trans proline' 0 C--N 1.38 2.228 0 C-N-CA 122.713 2.276 . . . . 0.0 111.295 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.8 tp -141.89 73.74 22.77 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 123.908 0.883 . . . . 0.0 108.762 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -84.77 133.86 5.23 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 122.278 1.985 . . . . 0.0 111.881 176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.99 -7.86 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.949 0.5 . . . . 0.0 111.562 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.6 m 66.2 172.28 0.09 OUTLIER Pre-proline 0 CA--C 1.571 1.765 0 C-N-CA 124.407 1.083 . . . . 0.0 112.062 174.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.86 -30.92 87.3 Favored 'Trans proline' 0 C--N 1.384 2.425 0 C-N-CA 122.424 2.083 . . . . 0.0 112.018 166.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.448 ' OD1' ' HG ' ' A' ' 20' ' ' LEU . 29.6 t-20 -155.9 116.85 2.25 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 174.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -75.31 7.48 2.96 Favored 'Trans proline' 0 C--N 1.378 2.08 0 C-N-CA 122.889 2.392 . . . . 0.0 115.157 -171.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.448 ' HG ' ' OD1' ' A' ' 18' ' ' ASN . 81.6 mt -53.37 -50.58 64.79 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -171.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -64.33 -45.46 87.74 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.3 -36.53 49.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -70.41 -42.51 71.54 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.35 0.26 . . . . 0.0 110.394 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.42 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 26.2 m0 -65.66 -43.09 90.45 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 123.526 0.517 . . . . 0.0 110.859 -176.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.597 HD21 HD11 ' A' ' 73' ' ' LEU . 73.1 mt -66.41 -34.34 77.73 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -74.76 -45.36 44.34 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 117.737 0.244 . . . . 0.0 111.189 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 13.1 pt-20 -72.41 -39.54 67.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.728 0.411 . . . . 0.0 110.819 -172.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.434 ' HH2' ' HG3' ' A' ' 80' ' ' LYS . 51.7 m0 -72.51 -33.01 66.61 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.838 0.455 . . . . 0.0 109.986 179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 31.4 ttm180 -60.07 -51.56 69.09 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.144 0.497 . . . . 0.0 110.283 171.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.1 -44.12 97.36 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.188 0.995 . . . . 0.0 110.625 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.38 -42.46 87.91 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.73 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.76 70.71 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.253 0.621 . . . . 0.0 111.1 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.81 88.62 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.663 0.785 . . . . 0.0 110.525 175.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -86.65 -29.82 22.23 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.363 0.665 . . . . 0.0 112.643 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -101.42 7.98 42.35 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.76 0.824 . . . . 0.0 112.024 -170.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.79 28.07 72.46 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.525 0.516 . . . . 0.0 114.308 173.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -93.22 130.87 38.76 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.233 0.613 . . . . 0.0 109.424 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -78.0 -10.14 59.46 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.756 0.822 . . . . 0.0 110.885 -176.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.8 p -68.2 -10.73 56.51 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.487 0.715 . . . . 0.0 112.052 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 29' ' ' ARG . 23.4 ttp180 -51.78 -42.19 62.23 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.394 0.616 . . . . 0.0 110.953 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -68.7 -37.79 79.8 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 113.706 -1.588 . . . . 0.0 111.2 -175.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.14 -34.71 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 117.576 0.171 . . . . 0.0 110.56 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -68.09 -30.26 69.4 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.005 0.522 . . . . 0.0 110.063 173.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.454 ' HA ' HH21 ' A' ' 29' ' ' ARG . 52.7 tt0 -71.74 -54.9 8.77 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.918 0.887 . . . . 0.0 111.272 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -70.29 -32.79 70.73 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.763 0.664 . . . . 0.0 111.767 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.47 64.65 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 122.825 0.45 . . . . 0.0 110.713 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 57.5 tp -63.33 -45.85 89.35 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -61.4 -34.32 75.16 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 123.681 0.613 . . . . 0.0 110.727 -177.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 23.3 t -64.7 -40.87 96.11 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.616 0.767 . . . . 0.0 110.463 173.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 39.3 tp -73.18 -30.64 63.69 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.503 0.721 . . . . 0.0 111.003 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 19.6 mm-40 -68.04 -38.45 82.51 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.588 0.755 . . . . 0.0 110.839 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -84.29 -24.3 29.93 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.43 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 10.0 t80 -82.55 116.33 63.21 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.083 0.553 . . . . 0.0 109.549 -176.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -80.32 1.96 8.86 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.94 2.427 . . . . 0.0 113.539 -173.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.428 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -94.75 114.7 64.17 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.54 96.74 1.0 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.209 1.94 . . . . 0.0 110.624 173.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD11 HD12 ' A' ' 66' ' ' LEU . 78.1 mt -52.53 -50.09 63.56 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.42 1.088 . . . . 0.0 111.677 -174.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 71.12 -61.04 0.49 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 125.258 1.423 . . . . 0.0 112.154 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 t -89.3 148.0 23.79 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.828 0.851 . . . . 0.0 110.001 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.49 -20.07 79.26 Favored Glycine 0 C--N 1.347 1.145 0 N-CA-C 114.58 0.592 . . . . 0.0 114.58 -173.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -64.37 -33.36 75.66 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.429 0.614 . . . . 0.0 111.609 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.5 mt-10 -79.34 -9.77 59.66 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.679 . . . . 0.0 112.204 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.426 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -75.11 -17.47 60.43 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.811 0.444 . . . . 0.0 111.214 174.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -69.22 -33.92 74.05 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.045 0.938 . . . . 0.0 112.014 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 62' ' ' GLU . 27.6 pt -63.65 -32.98 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 120.813 0.34 . . . . 0.0 110.742 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.457 HD12 HD11 ' A' ' 57' ' ' LEU . 96.1 mt -86.52 104.84 16.36 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.73 -22.55 65.47 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.892 1.277 . . . . 0.0 112.475 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -59.8 -33.2 71.41 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.597 0.759 . . . . 0.0 110.758 177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.445 ' HD2' HD12 ' A' ' 73' ' ' LEU . 5.1 m-85 -71.46 -70.28 0.33 Allowed 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 171.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.9 176.46 51.24 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 -173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.81 -43.53 98.56 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.03 -45.69 87.77 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.886 0.474 . . . . 0.0 110.952 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.597 HD11 HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -69.56 -48.96 58.56 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.851 0.86 . . . . 0.0 109.67 -176.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 38.7 t -55.58 -38.45 69.41 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.62 1.168 . . . . 0.0 110.891 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -67.9 -46.92 70.22 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.504 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 86.4 mmm -55.22 -53.75 52.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.118 0.567 . . . . 0.0 111.499 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD13 HD13 ' A' ' 73' ' ' LEU . 8.0 mp -67.54 -32.02 72.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.987 0.515 . . . . 0.0 111.69 -177.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.28 -47.1 65.54 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.119 0.568 . . . . 0.0 110.828 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 61.6 mt-10 -69.54 -46.46 66.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.945 0.898 . . . . 0.0 110.747 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HG3' ' HH2' ' A' ' 28' ' ' TRP . 28.8 mmmt -64.39 -41.59 96.58 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.548 0.739 . . . . 0.0 111.141 -177.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 57.0 tp -54.2 -48.39 71.04 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.863 0.727 . . . . 0.0 109.19 174.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.08 -40.57 94.19 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.487 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 78.2 mt-30 -65.47 -39.21 91.7 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.414 0.626 . . . . 0.0 110.632 -177.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -70.51 -46.69 63.19 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.168 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 63.9 mt -74.24 -28.02 61.04 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.959 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.55 70.6 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.275 0.63 . . . . 0.0 110.657 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.1 t -69.22 -34.61 75.13 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.968 174.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 73.74 43.3 36.04 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.772 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -142.94 175.94 22.81 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-N 114.865 -0.668 . . . . 0.0 111.767 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 123.78 0.832 . . . . 0.0 108.832 -179.526 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -73.08 104.7 1.82 Allowed 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.248 1.965 . . . . 0.0 111.747 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.02 123.2 87.64 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 122.939 0.496 . . . . 0.0 109.938 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -83.83 49.52 2.88 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.46 2.773 . . . . 0.0 112.555 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.33 -2.1 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.306 1.442 . . . . 0.0 113.381 -175.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.7 p -62.26 121.2 64.86 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 123.645 0.778 . . . . 0.0 109.475 170.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -58.66 100.43 0.11 Allowed 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 122.937 2.424 . . . . 0.0 112.233 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -110.95 98.33 38.1 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.137 0.975 . . . . 0.0 110.172 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.82 -60.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.838 2.358 . . . . 0.0 110.645 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.3 tp -171.4 -34.75 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.539 -175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -65.37 -33.41 75.9 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.175 -0.92 . . . . 0.0 112.265 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.77 -55.25 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 122.611 0.364 . . . . 0.0 110.765 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -60.33 -34.25 73.56 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 122.992 0.182 . . . . 0.0 111.008 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 22.2 m0 -65.61 -47.44 75.67 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.473 0.709 . . . . 0.0 111.392 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.73 -28.37 68.37 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.946 0.498 . . . . 0.0 111.354 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -71.3 -51.62 23.39 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 123.889 0.876 . . . . 0.0 110.846 177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 12.7 pt-20 -68.11 -42.6 80.01 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.474 -174.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 49.4 m0 -69.0 -35.63 76.9 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.217 0.607 . . . . 0.0 110.718 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -59.66 -41.99 91.85 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.681 0.793 . . . . 0.0 110.771 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -72.34 -37.76 68.79 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.767 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 50.3 mm-40 -61.19 -42.13 98.03 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.85 -21.2 60.98 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.025 0.93 . . . . 0.0 112.093 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . . . -76.29 -49.83 15.96 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.043 0.537 . . . . 0.0 110.697 176.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -74.6 -52.85 10.64 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.581 0.753 . . . . 0.0 111.481 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -68.29 -27.89 66.71 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.97 0.908 . . . . 0.0 110.821 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.64 83.5 0.67 Allowed Glycine 0 C--N 1.351 1.362 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -130.74 145.1 51.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.391 1.076 . . . . 0.0 109.214 -176.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -68.48 -22.09 64.57 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.098 0.959 . . . . 0.0 112.007 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.4 p -78.68 -5.6 53.51 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -176.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 33' ' ' ALA . 13.3 ttp180 -52.42 -40.81 62.6 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.393 0.616 . . . . 0.0 111.674 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -71.17 -44.39 65.6 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.112 -1.404 . . . . 0.0 111.21 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -69.19 -34.04 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 122.122 0.169 . . . . 0.0 110.631 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -64.79 -42.37 95.1 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 123.035 0.534 . . . . 0.0 109.962 175.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -65.16 -45.2 85.92 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.131 0.973 . . . . 0.0 111.914 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -65.32 -48.8 71.8 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.608 0.763 . . . . 0.0 110.477 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.32 90.52 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.559 177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.479 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 55.2 tp -61.35 -52.13 65.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.982 0.913 . . . . 0.0 110.513 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -46.75 87.82 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.989 0.916 . . . . 0.0 110.252 -176.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -60.23 -43.35 96.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.483 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -66.97 -40.1 87.37 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.143 0.577 . . . . 0.0 110.313 -177.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.479 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 46.2 mt-30 -68.07 -27.01 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.676 0.79 . . . . 0.0 112.325 -177.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 ptt85 -95.42 -22.61 17.6 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.172 -0.33 . . . . 0.0 111.655 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HE2' HD21 ' A' ' 57' ' ' LEU . 12.4 t80 -76.87 117.66 66.41 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 123.889 0.876 . . . . 0.0 109.595 -176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.87 32.04 0.51 Allowed 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 123.124 2.549 . . . . 0.0 113.787 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 57' ' ' LEU . 1.9 tm? -124.44 119.28 26.13 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -67.65 96.78 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.326 2.017 . . . . 0.0 111.573 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' A' ' 50' ' ' LEU . 77.7 mt -68.09 104.05 1.68 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.363 0.665 . . . . 0.0 110.065 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -98.96 -10.67 22.42 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.836 0.854 . . . . 0.0 111.157 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.5 m -142.31 154.09 44.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.157 0.583 . . . . 0.0 111.031 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.539 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.79 -24.11 71.17 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.316 -0.856 . . . . 0.0 113.465 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -53.88 -48.4 70.11 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.16 0.984 . . . . 0.0 110.398 169.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' ILE . 34.3 mt-10 -75.68 -32.54 60.18 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.747 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 57' ' ' LEU . . . -73.44 -29.3 62.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.555 0.742 . . . . 0.0 111.896 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.519 ' HA ' ' SG ' ' A' ' 74' ' ' CYS . 37.1 ttpt -68.66 -23.96 64.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.491 1.116 . . . . 0.0 112.603 -172.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 62' ' ' GLU . 24.0 pt -73.64 -18.39 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.386 0.275 . . . . 0.0 111.216 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mp -95.6 117.77 31.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -73.28 -16.29 61.39 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -67.8 -18.71 64.94 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.082 0.553 . . . . 0.0 111.545 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -83.39 -75.27 0.33 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 174.11 38.48 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 116.706 -0.225 . . . . 0.0 112.84 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -56.33 -59.61 4.71 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.885 0.874 . . . . 0.0 112.065 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -54.74 -48.19 72.88 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.501 1.12 . . . . 0.0 111.505 -176.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 77' ' ' LEU . 1.5 tm? -63.15 -52.3 62.99 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.791 1.236 . . . . 0.0 110.235 -174.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' A' ' 64' ' ' LYS . 63.3 m -64.3 -34.45 78.15 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.162 0.585 . . . . 0.0 111.737 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.97 -41.27 91.4 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 123.89 0.744 . . . . 0.0 111.055 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 82.6 mtp -61.51 -51.07 70.15 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 73' ' ' LEU . 6.9 mp -58.28 -41.97 85.52 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.819 0.848 . . . . 0.0 112.092 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.539 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 29.5 t70 -73.01 -43.07 62.55 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.832 0.853 . . . . 0.0 110.851 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.4 mm-40 -65.6 -43.27 90.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -61.5 -43.43 98.87 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.217 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -60.91 -41.21 95.66 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.782 0.833 . . . . 0.0 109.42 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -61.99 -40.08 94.41 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.34 1.056 . . . . 0.0 110.743 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 53.8 mt-30 -70.67 -33.45 70.96 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.153 0.501 . . . . 0.0 109.834 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -70.24 -32.08 69.77 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.886 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.67 -34.84 58.21 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 122.96 0.504 . . . . 0.0 110.416 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.61 -38.21 62.63 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.608 0.763 . . . . 0.0 111.824 -174.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -111.18 -9.71 14.33 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.406 0.682 . . . . 0.0 111.971 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.61 -48.74 3.58 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -173.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.89 166.1 39.18 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 109.919 -1.273 . . . . 0.0 109.919 172.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--O 1.253 1.266 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.337 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' HB3' ' HD3' ' A' ' 12' ' ' PRO . 43.6 ttm-85 . . . . . 0 CA--C 1.565 1.527 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.52 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 11' ' ' ARG . 11.4 Cg_exo -72.77 -43.35 0.87 Allowed 'Trans proline' 0 C--N 1.395 2.975 0 C-N-CA 121.762 1.641 . . . . 0.0 111.923 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -159.53 156.06 24.38 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 125.058 1.343 . . . . 0.0 108.188 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -59.43 -49.59 10.24 Favored 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.526 2.151 . . . . 0.0 112.343 -175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -91.56 90.82 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 123.155 0.582 . . . . 0.0 109.636 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.0 t -67.22 137.31 94.04 Favored Pre-proline 0 N--CA 1.48 1.045 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.809 176.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.13 80.12 0.39 Allowed 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 123.098 2.532 . . . . 0.0 113.044 -175.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.93 117.5 57.51 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 124.27 1.028 . . . . 0.0 108.978 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.53 ' O ' HG12 ' A' ' 22' ' ' VAL . 74.5 Cg_endo -72.89 -169.42 0.5 Allowed 'Trans proline' 0 C--N 1.37 1.66 0 C-N-CA 122.89 2.393 . . . . 0.0 112.248 173.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.03 -15.82 63.56 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 122.2 -0.313 . . . . 0.0 111.443 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -63.95 -22.46 66.93 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.475 0.71 . . . . 0.0 111.697 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 19' ' ' PRO . 7.6 p -62.5 -53.1 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.145 0.43 . . . . 0.0 110.53 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' NH2' ' HE1' ' A' ' 24' ' ' TRP . 32.5 ptt85 -70.89 -33.11 70.24 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 -177.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.411 ' HE1' ' NH2' ' A' ' 23' ' ' ARG . 40.6 m0 -67.56 -45.67 74.94 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 123.809 0.693 . . . . 0.0 111.125 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.558 HD21 HD21 ' A' ' 73' ' ' LEU . 95.2 mt -65.05 -32.01 73.51 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.501 0.32 . . . . 0.0 111.284 176.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.538 HG23 HH21 ' A' ' 29' ' ' ARG . 90.0 m -68.66 -50.26 52.57 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.44 0.696 . . . . 0.0 111.336 178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 11.0 pt-20 -73.33 -39.63 65.1 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -172.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.42 ' HZ3' HD12 ' A' ' 77' ' ' LEU . 47.8 m0 -71.73 -31.12 66.36 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.979 0.512 . . . . 0.0 110.757 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.538 HH21 HG23 ' A' ' 26' ' ' THR . 22.0 ttp180 -60.18 -46.67 88.89 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.549 0.74 . . . . 0.0 110.388 169.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -70.62 -32.1 69.31 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.312 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 14.0 mm-40 -74.13 -30.94 62.54 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.186 0.594 . . . . 0.0 110.617 174.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 37' ' ' ARG . . . -74.72 -21.95 59.09 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.596 0.359 . . . . 0.0 111.21 177.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.53 -42.52 14.34 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.49 0.716 . . . . 0.0 110.403 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -74.66 -48.82 24.06 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.773 0.829 . . . . 0.0 111.245 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -82.56 -3.0 55.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.912 0.885 . . . . 0.0 111.336 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.6 40.04 90.64 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.204 0.315 . . . . 0.0 113.342 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 36.6 mmt180 -87.01 -16.31 36.07 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.411 0.684 . . . . 0.0 111.526 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m80 71.12 -13.2 0.53 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.498 1.519 . . . . 0.0 113.826 173.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.7 p -73.74 5.44 4.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.914 0.886 . . . . 0.0 112.607 -178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -56.48 -30.1 62.53 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 123.593 0.757 . . . . 0.0 111.68 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.21 -39.76 71.55 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.753 0.821 . . . . 0.0 112.082 -176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.62 -36.55 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -70.13 -30.27 67.41 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 123.507 0.723 . . . . 0.0 110.981 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.94 -49.22 25.67 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.588 1.155 . . . . 0.0 111.431 -178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.9 -32.09 70.24 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.446 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -43.32 81.47 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.098 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.2 tp -59.48 -50.48 73.78 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.629 0.772 . . . . 0.0 110.92 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -60.26 -48.12 83.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 78.1 p -66.43 -32.73 74.28 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD21 ' HD2' ' A' ' 19' ' ' PRO . 8.6 tt -66.7 -36.82 83.41 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.394 0.678 . . . . 0.0 110.397 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 22.7 mm-40 -69.86 -30.55 68.05 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 121.246 0.546 . . . . 0.0 110.731 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -91.9 -3.64 55.73 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.093 0.957 . . . . 0.0 111.353 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 49' ' ' SER . 7.0 t80 -105.02 100.39 24.26 Favored Pre-proline 0 N--CA 1.481 1.104 0 C-N-CA 123.799 0.84 . . . . 0.0 109.056 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -78.07 4.28 6.32 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.955 2.437 . . . . 0.0 113.787 -177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.488 HD22 ' HD2' ' A' ' 56' ' ' PRO . 2.9 tm? -82.08 118.26 71.39 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 174.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.488 ' HD2' HD22 ' A' ' 55' ' ' LEU . 53.2 Cg_endo -67.43 94.01 0.36 Allowed 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.839 2.359 . . . . 0.0 112.578 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.86 82.84 0.92 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 108.986 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -81.67 -22.01 37.77 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 122.108 -0.37 . . . . 0.0 110.457 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.6 t -111.64 140.33 46.35 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.467 1.107 . . . . 0.0 108.246 171.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.64 -12.47 84.19 Favored Glycine 0 C--O 1.221 -0.674 0 CA-C-O 119.813 -0.437 . . . . 0.0 113.432 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -67.33 -22.11 65.62 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.008 0.523 . . . . 0.0 110.231 171.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 65' ' ' ILE . 35.6 mt-10 -74.03 -15.18 61.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.351 0.66 . . . . 0.0 111.362 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.28 -15.24 62.41 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.928 0.491 . . . . 0.0 111.039 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -64.67 -37.31 87.15 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.633 0.773 . . . . 0.0 111.338 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 62' ' ' GLU . 10.2 pt -69.86 -9.23 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 CA-C-O 120.552 0.215 . . . . 0.0 111.117 -177.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -109.47 108.82 19.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 166.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -68.37 -12.64 61.43 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.825 0.85 . . . . 0.0 111.796 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -62.99 -31.92 73.15 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.98 0.912 . . . . 0.0 111.091 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.623 ' HB3' HD22 ' A' ' 73' ' ' LEU . 1.2 m-85 -80.39 -55.24 5.03 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.96 163.71 36.24 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.897 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.83 93.16 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.98 0.912 . . . . 0.0 112.99 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -67.16 -43.53 82.02 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.356 0.662 . . . . 0.0 111.082 -174.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 69' ' ' PHE . 9.1 tt -72.27 -37.86 68.97 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.909 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 t -59.46 -39.86 85.01 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.824 0.85 . . . . 0.0 110.372 174.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -68.06 -42.46 80.46 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.397 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 mmt -57.61 -53.22 60.59 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.321 0.648 . . . . 0.0 110.752 176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.42 HD12 ' HZ3' ' A' ' 28' ' ' TRP . 8.0 mp -60.01 -41.51 92.31 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.805 0.842 . . . . 0.0 111.886 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -66.74 -47.0 73.64 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.302 0.572 . . . . 0.0 110.945 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 49.5 mt-10 -68.76 -43.42 75.85 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.16 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -66.17 -35.73 81.22 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.416 0.687 . . . . 0.0 111.757 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.7 tm? -62.97 -44.24 96.6 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 173.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -61.31 -32.78 72.64 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.041 0.936 . . . . 0.0 111.181 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.5 mm-40 -75.55 -32.02 60.28 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 118.302 0.501 . . . . 0.0 110.101 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -65.71 -30.65 71.35 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.488 0.715 . . . . 0.0 110.502 173.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 73.5 mt -79.41 -51.84 8.86 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.683 0.393 . . . . 0.0 110.648 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.98 69.59 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.978 0.911 . . . . 0.0 111.863 -171.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.0 t -91.66 -29.9 16.61 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.432 0.693 . . . . 0.0 110.927 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.97 -113.66 3.83 Favored Glycine 0 C--N 1.353 1.517 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.9 26.32 0.12 Allowed Glycine 0 C--N 1.342 0.865 0 O-C-N 123.648 0.264 . . . . 0.0 112.497 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 C--O 1.25 1.1 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.569 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.05 134.05 26.47 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.299 1.999 . . . . 0.0 111.416 173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.8 tp -147.93 77.24 10.24 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 122.828 0.451 . . . . 0.0 110.548 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.95 123.51 3.2 Favored 'Trans proline' 0 C--N 1.369 1.646 0 C-N-CA 122.597 2.198 . . . . 0.0 109.9 167.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.02 107.06 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-O 121.666 0.746 . . . . 0.0 110.342 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.8 p -109.48 93.07 12.95 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 124.162 0.985 . . . . 0.0 109.04 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HG2' ' HD2' ' A' ' 58' ' ' ARG . 56.5 Cg_endo -92.05 46.58 0.48 Allowed 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 123.34 2.693 . . . . 0.0 111.369 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 59.87 78.61 0.33 Allowed Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 124.932 1.293 . . . . 0.0 110.279 -169.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -67.4 -31.81 33.73 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.755 2.303 . . . . 0.0 113.46 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.1 mt 73.39 -35.52 0.32 Allowed 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.881 1.673 . . . . 0.0 112.573 -171.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -65.46 -21.3 66.63 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 123.802 0.841 . . . . 0.0 112.239 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.64 -56.65 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.138 0.426 . . . . 0.0 109.986 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -62.28 -38.52 89.66 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.178 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 48.2 m0 -67.2 -47.97 69.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.143 0.577 . . . . 0.0 111.783 -177.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD21 HD11 ' A' ' 77' ' ' LEU . 87.2 mt -64.08 -28.71 69.97 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.728 0.411 . . . . 0.0 111.227 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.4 m -72.63 -47.2 49.57 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.064 0.545 . . . . 0.0 111.503 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 11.6 pt-20 -72.83 -35.31 67.25 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.508 0.323 . . . . 0.0 111.281 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CZ2' ' HG3' ' A' ' 80' ' ' LYS . 41.3 m0 -74.71 -30.69 61.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.217 0.607 . . . . 0.0 110.491 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -61.55 -43.05 99.57 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.714 0.806 . . . . 0.0 109.961 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -68.28 -37.44 80.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.462 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 82.4 mt-10 -63.86 -40.35 96.37 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.582 0.706 . . . . 0.0 109.98 172.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . . . -68.7 -20.21 64.4 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.874 -0.517 . . . . 0.0 111.872 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.72 -35.71 22.31 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.395 0.678 . . . . 0.0 111.737 171.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.5 p -100.06 -56.29 2.41 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.332 0.653 . . . . 0.0 112.758 -171.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.1 -40.91 91.3 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.208 1.003 . . . . 0.0 110.504 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.07 35.83 4.66 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.873 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -70.33 -25.55 63.35 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.55 0.74 . . . . 0.0 109.91 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.2 m170 73.38 -18.72 0.36 Allowed 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 125.788 1.635 . . . . 0.0 113.285 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.7 p -75.31 11.16 1.28 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.435 1.094 . . . . 0.0 112.616 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.522 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 28.0 ptt180 -59.56 -23.2 62.69 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.759 0.824 . . . . 0.0 112.033 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -75.61 -41.96 53.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.565 0.746 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -77.15 -35.34 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 117.763 0.256 . . . . 0.0 110.933 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -64.67 -31.9 73.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.105 0.562 . . . . 0.0 109.869 172.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -67.13 -53.19 32.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.189 0.596 . . . . 0.0 110.298 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -63.65 -41.63 98.19 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.022 0.529 . . . . 0.0 111.818 -175.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -40.4 91.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.59 0.756 . . . . 0.0 110.549 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HG ' ' NE2' ' A' ' 51' ' ' GLN . 53.8 tp -67.36 -51.05 56.95 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.948 0.899 . . . . 0.0 111.278 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 24.6 mmt180 -63.92 -44.89 91.55 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.004 0.922 . . . . 0.0 110.164 -175.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 90.5 p -62.68 -40.54 97.41 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.717 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.3 tt -60.23 -41.85 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 124.056 0.942 . . . . 0.0 109.593 177.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.473 ' NE2' ' HG ' ' A' ' 47' ' ' LEU . 47.8 mt-30 -70.57 -21.41 62.69 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.526 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' ARG . 62.8 mtp180 -102.43 -5.79 23.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.299 0.64 . . . . 0.0 111.001 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 49' ' ' SER . 8.4 t80 -97.53 112.33 60.98 Favored Pre-proline 0 N--CA 1.481 1.088 0 C-N-CA 123.798 0.839 . . . . 0.0 108.765 -176.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -85.63 33.72 0.47 Allowed 'Trans proline' 0 C--N 1.369 1.643 0 C-N-CA 123.014 2.476 . . . . 0.0 113.001 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.85 145.7 32.92 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 123.862 0.865 . . . . 0.0 108.98 172.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -74.17 92.24 0.92 Allowed 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.855 2.37 . . . . 0.0 112.152 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.717 HD12 ' HG ' ' A' ' 50' ' ' LEU . 42.2 mt -89.52 72.84 7.86 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HD2' ' HG2' ' A' ' 17' ' ' PRO . 76.2 mtp180 -97.64 -40.66 8.5 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 0.0 110.058 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -95.43 149.71 21.09 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.327 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.472 ' O ' ' SG ' ' A' ' 74' ' ' CYS . . . -60.89 -32.47 79.81 Favored Glycine 0 C--N 1.351 1.396 0 O-C-N 123.426 0.454 . . . . 0.0 112.578 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -49.5 -37.58 27.01 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.501 1.121 . . . . 0.0 111.868 173.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.513 ' O ' HG12 ' A' ' 65' ' ' ILE . 23.5 mm-40 -83.8 -37.95 21.9 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.748 0.819 . . . . 0.0 111.068 -177.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.41 64.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 122.937 0.495 . . . . 0.0 111.59 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 35.1 ttpt -75.02 -19.7 59.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.298 1.039 . . . . 0.0 112.33 -175.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 62' ' ' GLU . 21.0 pt -71.91 -20.05 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mp -94.12 135.64 35.27 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -85.22 -9.28 57.96 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.809 0.844 . . . . 0.0 110.833 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -58.56 -41.77 86.41 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.798 0.809 . . . . 0.0 109.351 169.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -76.88 -73.06 0.31 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.869 -1.514 . . . . 0.0 107.544 166.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.12 173.47 47.53 Favored Glycine 0 C--N 1.341 0.829 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -166.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.46 -41.31 84.87 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -76.8 -36.53 56.89 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 122.797 0.439 . . . . 0.0 111.97 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.29 -49.5 73.79 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 44.0 t -64.78 -26.13 68.22 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.764 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -62.17 -44.24 97.04 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 92.9 mmm -57.13 -48.38 78.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.818 0.447 . . . . 0.0 110.613 174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 HD21 ' A' ' 25' ' ' LEU . 10.5 mp -62.69 -42.95 99.9 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.428 0.691 . . . . 0.0 112.693 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.3 -40.42 62.27 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.687 0.795 . . . . 0.0 110.54 -172.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -59.35 -49.82 76.36 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.204 173.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.444 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 29.9 mmmt -63.86 -41.56 97.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.404 0.682 . . . . 0.0 112.079 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 2.2 tm? -58.88 -46.31 88.11 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -64.74 -34.96 79.57 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.591 1.156 . . . . 0.0 111.741 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -72.33 -34.39 68.03 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.014 0.526 . . . . 0.0 110.093 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -68.2 -38.56 82.11 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.222 1.009 . . . . 0.0 109.396 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 81' ' ' LEU . 91.8 mt -66.84 -47.42 72.04 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.94 0.896 . . . . 0.0 110.724 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.66 -20.51 62.7 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.907 0.883 . . . . 0.0 112.12 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.2 t -87.29 -64.8 1.09 Allowed 'General case' 0 C--O 1.24 0.598 0 C-N-CA 123.24 0.616 . . . . 0.0 110.671 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.49 -50.09 3.99 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.137 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.92 -66.8 2.11 Favored Glycine 0 C--N 1.349 1.286 0 N-CA-C 111.74 -0.544 . . . . 0.0 111.74 175.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.249 1.037 0 C-N-CA 123.265 0.626 . . . . 0.0 109.526 173.834 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.99 90.01 0.87 Allowed 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.577 2.185 . . . . 0.0 110.226 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.0 mt -122.81 145.56 45.76 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 123.413 0.685 . . . . 0.0 110.238 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.9 93.51 0.21 Allowed 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.968 2.446 . . . . 0.0 112.413 174.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.53 8.51 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.839 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.92 147.89 86.6 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 123.856 0.863 . . . . 0.0 110.447 173.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -79.75 -4.49 13.48 Favored 'Trans proline' 0 C--N 1.373 1.848 0 C-N-CA 123.093 2.528 . . . . 0.0 113.862 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -75.3 -54.67 2.39 Favored Pre-proline 0 CA--C 1.563 1.446 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.397 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -80.23 84.05 2.1 Favored 'Trans proline' 0 C--N 1.394 2.929 0 C-N-CA 121.759 1.64 . . . . 0.0 111.642 176.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.44 -48.01 76.95 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.43 -175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' HE1' ' HB2' ' A' ' 81' ' ' LEU . 4.7 m-30 -60.05 -48.58 81.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.524 ' HB ' HD22 ' A' ' 50' ' ' LEU . 5.8 p -64.26 -46.88 92.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 123.347 0.404 . . . . 0.0 111.403 -177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.51 -29.9 69.44 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.43 0.292 . . . . 0.0 110.86 -178.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' HA ' ' HG2' ' A' ' 27' ' ' GLU . 36.6 m0 -69.03 -47.06 66.35 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.555 0.534 . . . . 0.0 111.035 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.83 -28.48 69.88 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.316 0.246 . . . . 0.0 110.919 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.5 m -71.63 -51.49 22.92 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.378 0.671 . . . . 0.0 110.783 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 24' ' ' TRP . 12.8 pt-20 -72.33 -35.2 68.53 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.861 0.464 . . . . 0.0 111.192 -172.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -72.8 -35.34 67.34 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.042 0.537 . . . . 0.0 110.245 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -67.15 -35.45 79.73 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.152 0.581 . . . . 0.0 110.632 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.87 -35.63 67.21 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.461 0.704 . . . . 0.0 110.605 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -71.27 -29.47 65.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.603 0.761 . . . . 0.0 109.758 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 40' ' ' ARG . . . -74.92 -23.08 58.29 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 122.932 0.493 . . . . 0.0 111.414 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.29 -43.9 20.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.42 0.688 . . . . 0.0 110.08 172.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -77.52 -61.84 1.86 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.483 0.713 . . . . 0.0 111.029 -174.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -73.52 -56.77 4.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.893 0.877 . . . . 0.0 109.762 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 114.99 73.51 0.56 Allowed Glycine 0 C--N 1.343 0.925 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.214 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.499 ' H ' ' HA ' ' A' ' 32' ' ' ALA . 39.8 mmt180 -92.62 146.32 23.75 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 175.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.37 -33.8 69.88 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.607 0.718 . . . . 0.0 109.89 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 p -76.51 10.09 2.32 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 114.658 -1.155 . . . . 0.0 113.589 -174.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.534 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 51.9 ttp180 -55.54 -39.04 70.06 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.64 0.776 . . . . 0.0 112.233 179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.56 -42.63 82.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.041 0.937 . . . . 0.0 111.398 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.449 HG13 HD23 ' A' ' 73' ' ' LEU . 7.9 p -76.1 -29.85 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.682 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.05 -40.61 96.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.919 0.488 . . . . 0.0 109.946 172.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -64.34 -56.61 13.23 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.223 1.009 . . . . 0.0 111.286 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -68.84 -30.34 68.86 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.34 0.4 . . . . 0.0 111.547 -173.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.52 69.33 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.595 0.559 . . . . 0.0 110.725 174.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 46.0 tp -61.87 -49.39 76.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.192 0.597 . . . . 0.0 110.513 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -37.71 78.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.548 0.739 . . . . 0.0 109.669 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.3 t -60.52 -40.11 90.28 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.616 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HG ' HD12 ' A' ' 57' ' ' LEU . 5.3 tt -70.31 -37.01 74.66 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.503 0.721 . . . . 0.0 109.54 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 13.7 mm100 -61.04 -45.31 95.3 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.663 0.785 . . . . 0.0 111.276 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -82.33 -20.71 36.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.357 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 55' ' ' LEU . 17.2 t80 -85.36 111.84 39.6 Favored Pre-proline 0 CA--C 1.553 1.064 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 53' ' ' TYR . 7.7 Cg_exo -73.12 -23.45 18.14 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 123.078 2.518 . . . . 0.0 113.223 -172.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 2.1 tm? -65.88 115.91 27.37 Favored Pre-proline 0 CA--C 1.551 0.991 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -68.38 102.41 0.82 Allowed 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 122.928 2.419 . . . . 0.0 111.497 -175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.531 HD12 ' HG ' ' A' ' 50' ' ' LEU . 85.9 mt -72.22 101.01 2.72 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.359 0.664 . . . . 0.0 109.808 -178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -103.2 -39.65 6.76 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.314 1.046 . . . . 0.0 110.004 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -110.24 145.98 36.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.955 0.902 . . . . 0.0 109.272 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.685 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -65.82 -19.32 67.33 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 116.693 -0.23 . . . . 0.0 112.92 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -51.27 -48.25 62.25 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.662 1.185 . . . . 0.0 110.732 165.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' HG12 ' A' ' 65' ' ' ILE . 31.1 mt-10 -75.41 -38.27 59.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.738 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' HA2' ' A' ' 60' ' ' GLY . . . -69.53 -36.93 76.85 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.313 0.645 . . . . 0.0 112.384 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 74' ' ' CYS . 6.4 ttpm? -71.31 -22.63 61.91 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.417 0.687 . . . . 0.0 112.271 -171.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 62' ' ' GLU . 18.3 pt -63.65 -27.17 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 122.801 0.441 . . . . 0.0 111.618 -174.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.3 143.33 32.32 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 122.668 0.387 . . . . 0.0 110.503 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -86.73 36.54 0.72 Allowed 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.711 1.204 . . . . 0.0 110.538 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -132.73 -30.37 1.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.454 1.102 . . . . 0.0 109.408 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.88 -78.54 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 171.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.3 -177.93 50.52 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-N 116.285 -0.416 . . . . 0.0 113.123 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -66.89 -45.98 76.34 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.557 0.743 . . . . 0.0 112.71 -172.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -61.43 -48.63 80.3 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.367 0.667 . . . . 0.0 111.201 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.449 HD23 HG13 ' A' ' 42' ' ' VAL . 2.2 tm? -62.75 -52.08 64.63 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.357 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 64' ' ' LYS . 30.9 t -59.46 -33.61 71.51 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 124.141 0.901 . . . . 0.0 111.751 -178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -65.24 -44.73 87.27 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 119.396 -0.335 . . . . 0.0 110.394 177.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 85.5 mtp -70.04 -40.05 75.36 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.87 -51.46 22.21 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.675 1.19 . . . . 0.0 111.903 -172.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.685 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 37.8 t70 -75.93 -34.03 59.87 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.111 0.964 . . . . 0.0 112.827 -175.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.577 ' HG2' HE21 ' A' ' 83' ' ' GLN . 30.7 tt0 -66.95 -44.63 80.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.857 0.463 . . . . 0.0 110.015 176.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -55.36 -46.82 76.45 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.663 171.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.432 ' HB2' ' HE1' ' A' ' 21' ' ' PHE . 23.7 tp -53.31 -45.67 69.1 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.808 0.843 . . . . 0.0 110.648 175.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -63.88 -44.28 93.53 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.414 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.577 HE21 ' HG2' ' A' ' 79' ' ' GLU . 78.5 mt-30 -73.54 -33.45 64.72 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.896 0.478 . . . . 0.0 110.285 -174.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.78 -48.86 67.71 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.659 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.7 -18.33 48.24 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.65 0.78 . . . . 0.0 111.655 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.36 -36.42 63.59 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.859 0.464 . . . . 0.0 109.864 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.2 t -77.36 -61.63 1.92 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.661 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.04 -124.66 0.89 Allowed Glycine 0 C--N 1.347 1.187 0 CA-C-N 116.463 -0.335 . . . . 0.0 112.767 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.35 -173.28 25.82 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 117.068 0.434 . . . . 0.0 112.396 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.084 178.321 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.31 139.75 61.24 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 122.532 2.155 . . . . 0.0 109.836 166.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.94 98.23 0.17 Allowed Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 124.406 1.066 . . . . 0.0 112.099 -174.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' O ' ' HG3' ' A' ' 56' ' ' PRO . 83.6 Cg_endo -92.33 92.92 0.19 Allowed 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 122.652 2.235 . . . . 0.0 112.075 -167.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.78 101.81 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 171.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' HB3' ' HG3' ' A' ' 19' ' ' PRO . 52.9 t -55.33 136.97 68.93 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 124.186 0.929 . . . . 0.0 110.522 -178.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -46.65 -39.63 23.42 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 123.584 2.856 . . . . 0.0 113.079 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -147.33 95.78 4.3 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 124.489 1.116 . . . . 0.0 108.42 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HG3' ' HB3' ' A' ' 16' ' ' CYS . 7.2 Cg_exo -77.01 2.27 7.77 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 123.506 2.804 . . . . 0.0 113.376 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.2 mt 76.47 -53.58 0.59 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 126.187 1.795 . . . . 0.0 111.615 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -55.71 -38.99 70.45 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.081 1.352 . . . . 0.0 111.556 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.03 -40.1 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.267 0.627 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -65.07 -48.99 71.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.855 0.862 . . . . 0.0 109.242 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -67.86 -43.58 79.11 Favored 'General case' 0 C--O 1.212 -0.917 0 O-C-N 124.05 0.844 . . . . 0.0 111.04 -173.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.526 HD21 HD11 ' A' ' 73' ' ' LEU . 95.4 mt -67.7 -30.19 69.64 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.85 0.46 . . . . 0.0 111.749 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.7 m -73.35 -51.24 18.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.645 0.378 . . . . 0.0 111.034 176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.86 -37.14 81.46 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.493 0.317 . . . . 0.0 110.504 -175.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -69.71 -36.39 75.89 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.095 0.558 . . . . 0.0 110.701 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -63.49 -39.75 95.27 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.408 0.683 . . . . 0.0 110.324 175.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -68.64 -42.13 78.42 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.003 0.921 . . . . 0.0 110.769 178.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.481 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 24.4 mm-40 -61.94 -46.08 90.88 Favored 'General case' 0 C--O 1.216 -0.681 0 C-N-CA 123.196 0.598 . . . . 0.0 109.925 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.92 63.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.364 0.665 . . . . 0.0 111.495 -176.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.96 42.23 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.005 0.522 . . . . 0.0 111.073 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -77.29 -47.22 20.62 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.384 0.674 . . . . 0.0 111.713 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 31' ' ' GLU . 3.3 mpt_? -77.15 -18.15 58.08 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.677 1.191 . . . . 0.0 110.461 -174.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.73 43.37 7.79 Favored Glycine 0 C--N 1.351 1.387 0 O-C-N 123.287 0.367 . . . . 0.0 113.233 175.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 132.59 38.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.722 0.809 . . . . 0.0 109.834 172.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -66.42 -20.16 65.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.734 0.814 . . . . 0.0 111.004 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 p -64.16 -8.23 11.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.328 1.051 . . . . 0.0 113.292 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -50.58 -41.2 54.2 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.024 0.529 . . . . 0.0 111.41 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.54 -34.62 70.17 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 7.9 p -75.42 -32.16 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 118.718 0.69 . . . . 0.0 110.173 179.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -68.04 -37.18 81.04 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.979 0.512 . . . . 0.0 109.913 172.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -52.4 34.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.845 1.258 . . . . 0.0 110.876 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HG2' ' HA ' ' A' ' 42' ' ' VAL . 18.2 ptpt -71.07 -35.26 71.82 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.734 0.413 . . . . 0.0 110.757 -174.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.64 89.1 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 123.174 0.59 . . . . 0.0 110.016 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 60.8 tp -59.6 -53.44 58.08 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.325 176.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -60.08 -43.47 95.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.896 0.878 . . . . 0.0 111.644 -178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' TYR . 66.3 m -62.15 -38.61 89.64 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.806 0.691 . . . . 0.0 110.908 178.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HG ' HD12 ' A' ' 57' ' ' LEU . 4.8 tt -67.15 -42.99 83.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.969 0.908 . . . . 0.0 109.888 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 47' ' ' LEU . 26.1 mm-40 -60.37 -38.14 82.95 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.193 0.597 . . . . 0.0 111.386 -177.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -92.21 -15.13 27.96 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' SER . 17.3 t80 -72.98 127.53 89.34 Favored Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 122.669 0.388 . . . . 0.0 110.056 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.63 31.68 0.48 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 123.168 2.579 . . . . 0.0 114.583 -175.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -144.31 125.15 7.73 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 11.3 Cg_exo -69.67 103.65 1.18 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.762 2.308 . . . . 0.0 111.485 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.422 HD12 ' HG ' ' A' ' 50' ' ' LEU . 38.8 mt -72.88 99.43 2.67 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.351 0.596 . . . . 0.0 109.675 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -118.07 15.02 14.15 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.88 1.272 . . . . 0.0 110.117 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -162.05 147.66 13.15 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 124.215 1.006 . . . . 0.0 109.253 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.507 ' HA3' ' HB2' ' A' ' 78' ' ' ASP . . . -67.29 -18.14 69.06 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.361 0.413 . . . . 0.0 112.951 177.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.31 -45.12 80.42 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.653 0.74 . . . . 0.0 110.288 168.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -83.77 -23.03 31.69 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.106 -174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.58 ' HB3' ' SG ' ' A' ' 74' ' ' CYS . . . -86.37 -33.67 20.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.212 0.605 . . . . 0.0 112.026 -175.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -71.22 -24.05 62.13 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.888 0.475 . . . . 0.0 112.134 -174.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 pt -63.86 -17.72 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 122.316 0.246 . . . . 0.0 111.034 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.67 121.4 38.47 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 170.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -82.48 -4.76 58.03 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -68.99 -27.37 65.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 168.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -79.35 -72.71 0.38 Allowed 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 167.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.23 -169.02 49.22 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.473 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.32 -60.27 3.39 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.992 0.517 . . . . 0.0 111.723 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -57.48 -49.68 75.5 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.028 0.931 . . . . 0.0 111.289 -170.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD11 HD21 ' A' ' 25' ' ' LEU . 1.7 tm? -63.06 -55.67 23.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.85 -176.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 63' ' ' ALA . 53.9 t -72.79 -29.29 63.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.926 -168.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -68.33 -44.55 75.08 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.285 0.634 . . . . 0.0 110.424 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtp -67.75 -38.43 83.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.475 0.31 . . . . 0.0 110.519 177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -64.7 -35.17 80.17 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.458 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.507 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 33.6 t70 -75.1 -33.96 61.67 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.278 1.031 . . . . 0.0 111.169 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.27 -39.96 86.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.333 0.653 . . . . 0.0 110.617 176.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.84 -47.12 82.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.332 172.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.04 -37.31 76.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.582 0.753 . . . . 0.0 109.815 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -69.85 -41.51 74.79 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.736 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -31.81 65.13 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -175.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.99 -52.38 65.25 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.79 172.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 mt -71.82 -35.49 69.95 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.842 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.38 -61.21 1.79 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.828 0.451 . . . . 0.0 110.889 -174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.7 m -76.95 -32.13 57.09 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.86 0.464 . . . . 0.0 111.632 -175.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.27 0.03 58.48 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-O 119.812 -0.438 . . . . 0.0 113.222 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.0 -68.53 0.56 Allowed Glycine 0 C--N 1.343 0.945 0 CA-C-N 117.156 0.478 . . . . 0.0 111.941 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -177.668 . . . . . . . . 0 0 . 1 stop_ save_