data_1ro3_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 1ro3 _Structure_validation_residue.Date_analyzed 2017-03-24 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 full ' A' A ' 1' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.473 ' C ' ' O ' ' A' ' 1' ' ' GLU . 17.1 t -36.61 -44.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.627 ' O ' ' CB ' ' A' ' 4' ' ' SER . 5.1 pt-20 -134.66 -35.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 3.4 t 147.12 -14.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.47 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -78.61 140.55 23.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.825 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -74.92 161.75 38.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.562 1.822 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.241 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.8 OUTLIER 78.7 54.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.268 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.671 ' O ' ' C ' ' A' ' 9' ' ' ARG . 17.7 p -177.36 43.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 108.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.671 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 ptt180 -9.57 -72.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -125.62 41.55 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 73.64 72.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 108.343 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 0.0 OUTLIER 172.35 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.507 ' CE1' ' SG ' ' A' ' 7' ' ' CYS . 14.1 t80 62.1 138.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.621 ' CB ' HG22 ' A' ' 18' ' ' THR . 0.4 OUTLIER -94.1 -86.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.67 ' O ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -175.78 78.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.67 ' O ' ' O ' ' A' ' 15' ' ' LYS . 32.8 mt-10 15.62 106.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.523 ' C ' ' HD3' ' A' ' 41' ' ' ARG . . . 142.18 -8.71 2.43 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.046 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -68.11 78.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.604 0.826 . . . . 0.0 110.448 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.133 HG13 ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -57.81 134.31 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.38 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -46.22 -91.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 108.41 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.002 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 8.0 mtpt -131.41 118.31 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.593 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 9.7 tpp85 -62.06 64.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.096 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -44.18 -54.96 5.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.992 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 46.4 mtm180 -36.25 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -143.56 -43.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 1.093 ' N ' ' O ' ' A' ' 22' ' ' ARG . 59.2 m-20 -166.7 -118.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 0.816 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.394 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -157.47 145.7 19.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.769 ' CB ' HD12 ' A' ' 19' ' ' ILE . 17.4 mmt -101.85 -88.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.654 ' O ' ' O ' ' A' ' 19' ' ' ILE . 7.6 m-20 -143.94 -136.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.096 ' HB3' ' H ' ' A' ' 39' ' ' CYS . 39.0 m-20 -149.19 116.22 6.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.188 ' HD1' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -118.67 161.16 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.241 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 13.4 p -74.04 107.19 6.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 108.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.738 ' HA ' ' CZ ' ' A' ' 31' ' ' TYR . 0.5 OUTLIER -90.14 10.71 23.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.36 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.421 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 87.12 13.55 65.98 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.825 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -131.02 -52.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 0.737 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.799 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 9.5 t -154.05 -177.0 6.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.496 ' O ' ' O ' ' A' ' 9' ' ' ARG . 31.1 p -131.57 60.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.83 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 8.5 t0 -137.31 52.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.38 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 86.31 28.07 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 108.246 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.981 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.02 62.83 5.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.564 1.823 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.188 ' CB ' ' HD1' ' A' ' 31' ' ' TYR . 3.0 ttm-85 -177.77 54.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.14 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -132.26 55.8 19.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.95 47.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.593 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -101.23 -140.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.621 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.624 ' HG3' ' C ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -21.72 -77.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.021 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -151.55 24.81 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.021 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.5 Cg_endo -75.03 -151.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.993 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 112.44 121.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.671 ' HB ' ' O ' ' A' ' 39' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.367 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 1' ' ' GLU . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.0 t -75.66 -0.09 19.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.295 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.23 60.09 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.3 t -170.74 27.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.67 171.32 33.04 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.861 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.98 176.02 10.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.259 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 75.85 49.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.688 ' O ' ' C ' ' A' ' 9' ' ' ARG . 29.4 p -170.94 50.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -3.91 -80.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 4.6 p30 -106.56 -34.12 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 5.7 t 157.13 72.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 171.95 -21.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 16.0 t80 63.72 150.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HB3' HG21 ' A' ' 18' ' ' THR . 1.0 OUTLIER -109.59 -84.44 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.686 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -175.73 93.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 15' ' ' LYS . 32.6 mt-10 -1.12 107.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 41' ' ' ARG . . . 143.36 -7.92 2.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.915 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -70.17 84.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.793 . . . . 0.0 110.394 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.354 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.83 138.0 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.305 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -48.7 -89.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 108.339 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.005 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 1.4 mtmt -129.32 121.55 27.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.405 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.5 tpp85 -63.51 58.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.217 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -33.6 -65.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.94 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 27.3 mtm180 -28.27 -32.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -137.5 -45.38 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.973 ' N ' ' O ' ' A' ' 22' ' ' ARG . 26.2 t0 -168.71 -117.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 0.805 . . . . 0.0 109.376 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.36 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -150.8 146.02 26.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.148 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 1.052 ' CG ' HD11 ' A' ' 19' ' ' ILE . 32.5 mmt -101.71 -84.31 0.45 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.589 1.18 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.734 ' O ' ' O ' ' A' ' 19' ' ' ILE . 5.6 m-20 -148.51 -138.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.884 ' HB3' ' H ' ' A' ' 39' ' ' CYS . 14.9 m-20 -140.59 121.74 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.255 ' HD2' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -116.93 114.41 23.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.259 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 21.4 p -32.96 127.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.794 HD21 ' C ' ' A' ' 49' ' ' THR . 47.2 p30 -111.55 19.96 17.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.715 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 76.15 -6.76 33.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.861 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -109.45 -67.93 0.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 0.742 . . . . 0.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.679 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 14.6 m -146.15 161.59 39.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.57 1.169 . . . . 0.0 110.417 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.574 ' HA ' ' HG3' ' A' ' 40' ' ' PRO . 11.7 p -104.72 80.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 108.337 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.8 t70 -147.06 58.13 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.305 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER 77.15 39.13 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 108.296 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.958 ' HA ' ' CB ' ' A' ' 49' ' ' THR . 18.4 Cg_endo -74.97 55.28 3.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.552 1.817 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.354 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -178.17 68.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.03 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -140.58 51.29 2.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.06 50.9 2.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.405 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -109.44 -137.46 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.917 ' CB ' ' HB3' ' A' ' 23' ' ' ALA . 2.5 mmpt? -18.32 -73.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.066 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -148.25 6.29 0.94 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.425 1.078 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.066 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 18.5 Cg_endo -74.99 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.834 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 135.37 94.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.958 ' CB ' ' HA ' ' A' ' 40' ' ' PRO . 53.8 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.072 . . . . 0.0 110.428 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.829 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER -35.09 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 1' ' ' GLU . 0.3 OUTLIER -169.04 37.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.364 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 1.4 t 159.19 73.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.829 ' O ' ' HA ' ' A' ' 1' ' ' GLU . . . 165.88 125.4 0.77 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.84 ' C ' ' HB3' ' A' ' 32' ' ' CYS . 18.1 Cg_endo -75.07 145.36 31.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.428 1.752 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.419 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 46.2 m 100.23 68.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.68 ' HA ' ' HA ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 169.39 122.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 108.339 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.71 ' NE ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -70.95 -4.58 25.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.521 ' CG ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -175.05 -40.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.536 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 38.5 t 178.83 35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 108.319 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -138.66 -90.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.787 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 8.8 t80 138.93 130.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.566 ' HG ' HG21 ' A' ' 18' ' ' THR . 0.3 OUTLIER -92.58 -82.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.684 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -178.74 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.684 ' C ' ' O ' ' A' ' 15' ' ' LYS . 37.0 mt-10 -4.71 76.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -171.38 -47.17 0.04 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.225 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -34.82 137.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 0.721 . . . . 0.0 110.435 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.255 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -116.1 120.37 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.232 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -23.0 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 108.315 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.725 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 23.9 mtpp -152.97 99.26 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.519 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 4.9 tpp85 -46.81 88.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.861 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -68.36 -81.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.947 ' HA ' ' CG ' ' A' ' 45' ' ' LYS . 2.7 ptp180 -15.06 -43.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.861 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -124.3 -104.34 1.58 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.947 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -122.49 113.67 19.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.355 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.396 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -39.51 146.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.987 ' CB ' HD12 ' A' ' 19' ' ' ILE . 43.3 mmm -106.04 -91.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 1.068 ' O ' ' O ' ' A' ' 20' ' ' CYS . 41.7 m-20 -138.98 -124.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.09 ' HB3' ' HA ' ' A' ' 39' ' ' CYS . 3.9 p-10 -166.37 113.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.225 ' HB3' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -108.27 156.93 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.419 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 4.4 p -69.77 117.68 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.933 ' ND2' ' C ' ' A' ' 49' ' ' THR . 52.2 p-10 -99.66 30.34 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.635 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 57.74 11.58 8.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.563 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -122.79 -36.63 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.407 0.71 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.846 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 14.7 t -173.14 174.46 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.723 ' HB3' ' O ' ' A' ' 5' ' ' GLY . 12.4 p -121.47 52.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 108.322 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.692 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 4.4 m-20 -130.66 67.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.232 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 69.97 34.81 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 108.315 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.926 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.06 52.91 3.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.255 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 2.5 tpt85 -172.42 97.36 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.013 ' CG ' ' HB3' ' A' ' 20' ' ' CYS . 0.0 OUTLIER 177.95 59.67 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.37 1.044 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.99 34.91 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.519 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -86.46 -137.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.628 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.947 ' CG ' ' HA ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -26.63 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.941 ' N ' ' HD3' ' A' ' 47' ' ' PRO . . . -141.03 25.31 2.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.953 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 18.0 Cg_endo -75.06 -159.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.86 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 112.06 124.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.933 ' C ' ' ND2' ' A' ' 33' ' ' ASN . 62.8 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.496 ' C ' ' O ' ' A' ' 1' ' ' GLU . 1.3 t -35.09 -71.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.4 1.063 . . . . 0.0 108.351 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -151.94 35.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 110.252 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER 87.28 36.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.956 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.599 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -127.79 130.9 6.88 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.445 1.091 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.788 ' C ' ' HB3' ' A' ' 32' ' ' CYS . 18.4 Cg_endo -74.97 145.2 31.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.758 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.513 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 60.5 m 97.61 59.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 108.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.599 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER 179.84 88.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.508 1.13 . . . . 0.0 108.249 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.574 ' CA ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -41.59 -25.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.465 ' CG ' ' N ' ' A' ' 11' ' ' CYS . 6.9 p30 -146.04 -46.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' N ' ' CG ' ' A' ' 10' ' ' ASN . 26.8 t 179.14 47.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 108.315 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.559 ' H ' ' CB ' ' A' ' 8' ' ' CYS . 3.6 tppt? -151.02 -89.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.635 ' CE1' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER 168.99 98.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.871 ' HG ' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -42.42 -100.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.56 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -173.79 29.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 15' ' ' LYS . 47.8 mt-10 52.69 108.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.578 ' C ' ' HD3' ' A' ' 41' ' ' ARG . . . 121.7 11.43 5.96 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.914 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -89.61 71.87 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 0.825 . . . . 0.0 110.416 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.203 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -46.59 139.5 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.044 ' HB3' ' CG ' ' A' ' 42' ' ' ASN . 1.4 t -58.73 -95.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 108.349 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.252 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 8.9 mttp -115.78 129.94 56.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.531 ' H ' ' CA ' ' A' ' 27' ' ' ASP . 8.0 tpp85 -68.16 60.08 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.185 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -32.34 -58.54 0.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.859 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 19.5 mtm180 -39.17 -25.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 22' ' ' ARG . . . -145.26 -50.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.406 1.066 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.925 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -164.54 -102.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.531 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -162.26 151.83 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.761 ' CB ' HD11 ' A' ' 19' ' ' ILE . 35.2 mmt -106.57 -71.18 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.709 ' CB ' ' CG2' ' A' ' 18' ' ' THR . 1.6 m-20 -147.15 -136.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.92 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -159.53 112.85 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.027 ' CD1' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -118.14 175.45 5.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.513 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 5.5 p -81.3 114.83 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 108.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.8 ' HB3' ' O ' ' A' ' 40' ' ' PRO . 49.0 p-10 -97.58 20.58 11.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.235 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.714 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 70.6 11.9 69.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.728 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 45.5 tttp -132.43 -47.38 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.74 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.713 ' C ' ' HG3' ' A' ' 40' ' ' PRO . 1.9 m -146.12 -179.58 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 20.5 p -138.77 54.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.852 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 8.0 t70 -140.22 49.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.986 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 0.7 OUTLIER 95.68 25.06 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.986 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.5 Cg_endo -74.97 66.32 6.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.203 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -171.67 34.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.152 HD21 ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -112.86 60.15 0.65 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.832 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.0 47.7 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.75 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.277 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -108.57 -151.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.779 ' CB ' ' HB2' ' A' ' 23' ' ' ALA . 60.6 mmtt -6.9 -73.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.995 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -174.09 35.27 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.995 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -74.93 -111.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.442 1.759 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.774 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 83.2 128.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.923 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.455 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.0 t -69.56 -49.47 53.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 108.236 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -167.77 -14.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 4.1 t 164.03 -23.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 110.045 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.662 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -70.82 122.32 10.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 1.213 ' C ' ' HB3' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.04 -30.11 7.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.272 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 61.9 m -77.21 67.39 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 108.319 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.761 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 25.9 p -168.37 75.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.693 ' HA ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -24.05 -48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.607 ' ND2' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -127.71 -40.99 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.497 ' N ' HD21 ' A' ' 10' ' ' ASN . 48.5 t 172.64 36.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' O ' ' C ' ' A' ' 13' ' ' PHE . 7.2 ptpt -170.73 81.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.689 ' CD1' ' HB3' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -11.27 120.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' CG ' HG23 ' A' ' 18' ' ' THR . 0.1 OUTLIER -83.41 -83.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.358 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.673 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -176.82 81.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.378 1.049 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.673 ' C ' ' O ' ' A' ' 15' ' ' LYS . 30.1 mt-10 -0.18 108.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.602 ' HA2' ' HD3' ' A' ' 41' ' ' ARG . . . 128.83 12.74 2.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.037 ' O ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -69.2 -16.61 63.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.396 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.144 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 36.51 143.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.382 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -65.75 -88.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.124 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 14.9 mtpp -124.21 126.23 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.467 ' N ' ' HA ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -65.47 59.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.214 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -29.86 -70.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.845 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 27.5 mtm180 -28.13 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -131.49 -49.26 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.956 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -172.79 -97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.467 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -164.77 142.07 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.721 ' CB ' HD11 ' A' ' 19' ' ' ILE . 72.6 mmm -95.05 -65.2 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.762 ' C ' ' O ' ' A' ' 19' ' ' ILE . 3.2 m-20 -156.03 -122.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.036 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -170.4 109.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.274 ' HD1' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -112.44 166.6 11.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.272 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 1.2 p -58.63 -161.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 49' ' ' THR . 29.5 p-10 167.63 39.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.93 18.28 46.62 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 2.2 tttp -141.12 -109.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.699 ' C ' ' HA ' ' A' ' 6' ' ' PRO . 1.3 t -102.63 176.52 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.801 ' HB3' ' C ' ' A' ' 6' ' ' PRO . 20.0 p -124.74 72.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.828 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 19.4 p-10 -138.85 53.21 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.382 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER 81.26 29.92 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.965 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.1 Cg_endo -75.11 62.89 6.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.274 ' CB ' ' HD1' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -177.63 58.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.066 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -132.65 55.3 16.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.07 54.51 3.7 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.551 1.817 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.244 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -111.98 -142.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.671 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.874 ' N ' ' HB3' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -13.48 -67.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.056 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -167.75 19.51 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.056 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 18.4 Cg_endo -75.04 -157.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.8 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 125.2 123.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.219 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.656 ' CB ' ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.778 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 8.2 t -28.34 -55.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -168.62 71.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.6 t -179.63 -35.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.778 ' O ' ' HA ' ' A' ' 1' ' ' GLU . . . -139.53 163.28 26.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.616 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -75.01 177.07 9.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.344 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 88.73 67.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.336 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.01 ' HA ' ' HA ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 172.84 145.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 108.283 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' NE ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -95.25 -0.68 52.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER 176.34 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 4.9 t 158.69 80.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.259 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.683 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 0.0 OUTLIER 170.5 -28.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.01 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 3.4 t80 71.92 126.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CB ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -84.66 -82.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.663 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.4 pttt -174.54 106.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.663 ' C ' ' O ' ' A' ' 15' ' ' LYS . 19.2 mt-10 -9.82 85.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 1.057 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 170.22 -58.78 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.057 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER 8.97 -152.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 110.412 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.462 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -177.94 99.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.124 ' CB ' ' C ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -5.4 -85.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.703 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 7.1 mttt -157.05 90.91 1.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.418 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 6.1 tpp85 -37.92 89.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.759 ' N ' ' CD2' ' A' ' 44' ' ' HIS . . . -75.42 -30.46 60.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.19 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.894 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 3.4 ttm180 -35.09 -56.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.46 -37.75 0.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.68 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -167.69 113.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.286 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -38.55 150.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.729 ' H ' ' H ' ' A' ' 22' ' ' ARG . 27.6 mmm -106.96 -67.85 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.595 1.184 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 1.157 ' O ' ' O ' ' A' ' 19' ' ' ILE . 1.4 m-20 -159.7 -149.2 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.899 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.5 OUTLIER -142.25 113.12 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.962 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 0.0 OUTLIER -101.46 118.24 36.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.344 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 29.5 p -42.05 106.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.843 ' ND2' ' C ' ' A' ' 49' ' ' THR . 13.7 p30 -96.3 25.78 4.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 65.13 14.33 59.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.616 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 1.2 ttpp -122.59 -48.82 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.323 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.422 ' C ' ' HA ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.41 161.94 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.654 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 1.4 p -99.33 56.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 108.375 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.63 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 72.4 m-20 -150.65 112.11 4.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.124 ' C ' ' CB ' ' A' ' 20' ' ' CYS . 3.3 t 44.61 45.37 2.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.813 ' HA ' ' HB ' ' A' ' 49' ' ' THR . 18.1 Cg_endo -75.01 -49.77 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.462 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 3.6 tpt85 -103.11 138.53 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.156 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 151.16 61.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.653 ' HD3' ' H ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.94 41.14 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.418 ' NE2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -96.47 -129.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.671 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' C ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -31.45 -92.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.934 ' N ' ' HD3' ' A' ' 47' ' ' PRO . . . -133.99 24.48 3.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.038 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.06 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 1.007 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 96.91 122.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.843 ' C ' ' ND2' ' A' ' 33' ' ' ASN . 1.2 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.416 ' N ' ' HB3' ' A' ' 38' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.7 -58.06 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.572 ' O ' ' CB ' ' A' ' 4' ' ' SER . 12.3 tt0 -136.62 -36.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 2.1 t 153.11 -16.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.615 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -86.15 138.38 15.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.685 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.3 Cg_endo -74.99 161.94 37.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.787 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.464 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 17.7 m 83.37 59.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER -178.04 71.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 108.314 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.539 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -27.14 -53.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.445 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -145.01 36.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 83.14 58.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.351 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -170.86 -34.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 78.34 121.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.636 ' CB ' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -81.86 -79.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.695 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER 178.44 89.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.695 ' C ' ' O ' ' A' ' 15' ' ' LYS . 11.1 mt-10 0.69 76.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.565 ' O ' ' NE ' ' A' ' 41' ' ' ARG . . . -173.38 -39.38 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.217 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -41.44 135.48 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 110.429 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.298 ' CA ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -117.4 125.52 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.28 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 3.0 t -30.26 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 108.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.85 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -144.13 108.81 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.575 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -62.38 72.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.802 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -52.68 -63.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.936 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 23.2 mtm180 -14.93 -46.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.802 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -138.86 -71.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.796 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 5.3 p-10 -145.31 122.97 11.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.336 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -43.79 147.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.863 ' CB ' HD13 ' A' ' 19' ' ' ILE . 46.4 mmm -103.65 -75.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.879 ' O ' ' O ' ' A' ' 20' ' ' CYS . 27.8 m-20 -148.95 -120.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.02 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER 179.24 106.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.319 ' HD1' ' CB ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -110.31 167.39 10.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.464 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -52.12 -179.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.286 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.701 HD21 ' C ' ' A' ' 49' ' ' THR . 30.7 p-10 -176.42 30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.611 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 56.8 17.77 22.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.685 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -136.31 -73.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.327 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 28.8 m -119.99 -178.71 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.659 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 18.7 p -144.24 81.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.956 ' H ' ' CD ' ' A' ' 40' ' ' PRO . 5.6 t70 154.75 57.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.28 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 140.82 -9.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 108.301 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 1.054 ' CD ' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.03 91.66 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.319 ' CB ' ' HD1' ' A' ' 31' ' ' TYR . 3.6 ttt180 141.59 70.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.026 ' CG ' ' HB3' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -159.08 55.05 0.74 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.587 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.94 51.63 2.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.575 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -100.96 -132.97 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.505 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.48 ' H ' ' H ' ' A' ' 24' ' ' ARG . 1.4 mmtp -38.71 -87.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.988 ' N ' ' CD ' ' A' ' 47' ' ' PRO . . . -118.9 7.45 13.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.414 1.071 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.988 ' CD ' ' N ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -74.99 -177.33 3.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.884 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 132.73 106.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 1.048 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 49.9 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.404 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.484 ' SG ' ' OE1' ' A' ' 3' ' ' GLU . 21.5 t -115.28 -57.17 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.256 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 5' ' ' GLY . 0.7 OUTLIER -122.66 22.02 9.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER 72.17 -13.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.955 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 3' ' ' GLU . . . -91.79 135.19 12.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.688 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.5 Cg_endo -74.93 167.05 27.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.405 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 86.7 m 79.47 32.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.748 ' O ' ' N ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -129.8 12.26 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.242 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' C ' ' CG ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER 26.15 81.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.558 ' CG ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER 71.79 -62.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.1 t -170.76 29.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.748 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -167.36 69.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.364 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' C ' ' O ' ' A' ' 12' ' ' LYS . 2.2 t80 -17.32 121.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.643 ' HB3' HG22 ' A' ' 18' ' ' THR . 0.1 OUTLIER -82.42 -97.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.65 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -160.9 96.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.65 ' C ' ' O ' ' A' ' 15' ' ' LYS . 15.9 mt-10 -12.77 91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.893 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 162.26 -23.25 0.21 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.896 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -37.89 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.79 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.191 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -176.4 129.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.585 1.178 . . . . 0.0 109.29 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.315 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -47.91 -91.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.185 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 mtmp? -125.48 131.32 52.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.485 ' H ' ' CA ' ' A' ' 27' ' ' ASP . 7.6 tpp85 -71.46 60.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.195 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -30.64 -56.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.716 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 31.8 mtm180 -38.05 -24.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 22' ' ' ARG . . . -154.81 -44.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 1.005 ' O ' ' N ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -170.55 -94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.485 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -170.78 156.0 4.96 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 109.392 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.679 ' H ' HD13 ' A' ' 19' ' ' ILE . 5.5 mmt -110.63 -46.8 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 1.066 ' O ' ' O ' ' A' ' 19' ' ' ILE . 69.7 m-20 -163.47 -126.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.231 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.999 ' HB3' ' HA ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -175.09 99.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.202 ' HD1' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -98.26 155.02 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 111.032 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.405 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -47.07 -177.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 108.269 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.793 HD21 ' C ' ' A' ' 49' ' ' THR . 51.4 p-10 -170.47 30.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 50.03 18.0 1.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.688 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -132.82 -47.38 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.589 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -166.16 173.1 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.402 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.664 ' HA ' ' HG3' ' A' ' 40' ' ' PRO . 31.6 p -118.54 64.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 108.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.79 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 2.8 t70 -142.94 77.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.315 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 66.3 32.05 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.253 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.934 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.6 Cg_endo -74.86 54.05 3.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.413 1.744 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.202 ' CB ' ' HD1' ' A' ' 31' ' ' TYR . 3.6 ttt180 -175.82 67.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.045 ' HB3' ' H ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -138.98 51.12 3.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.661 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.6 Cg_endo -74.97 59.55 5.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.267 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -116.65 -138.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.879 ' CB ' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mmpt? -17.18 -66.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.149 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -155.37 4.97 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.149 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 17.9 Cg_endo -75.06 -171.48 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.779 ' CB ' ' O ' ' A' ' 47' ' ' PRO . . . 134.17 92.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.858 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 7.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.366 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 2' ' ' CYS . 28.6 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 1' ' ' GLU . 51.1 t -36.55 -55.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 108.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 4' ' ' SER . 3.1 tt0 -149.79 -33.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 7.4 t 158.52 -10.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -88.97 136.68 13.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.423 1.077 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.748 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.5 Cg_endo -74.94 162.24 37.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.416 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 67.3 m 82.44 61.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 108.266 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.729 ' HA ' ' HA ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -179.2 85.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 108.333 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.698 ' NE ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -33.91 -33.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.534 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.2 p30 -154.21 -44.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.489 ' N ' ' CG ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 171.2 50.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 108.299 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' O ' ' O ' ' A' ' 13' ' ' PHE . 5.3 tttt -173.11 30.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.809 ' O ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER 36.73 120.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.951 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.698 HD23 ' NE ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -75.14 -117.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.67 ' O ' ' C ' ' A' ' 16' ' ' GLU . 18.8 mtmt -143.26 82.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.67 ' C ' ' O ' ' A' ' 15' ' ' LYS . 9.1 mt-10 -9.88 87.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.754 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 161.2 -13.46 0.15 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.436 1.085 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.956 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -45.58 -156.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.418 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.14 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 173.57 113.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.167 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 1.5 t -22.01 -90.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 108.227 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.811 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 53.5 mttt -144.07 97.39 3.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.505 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.9 tpp85 -48.75 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.933 ' CB ' ' HD3' ' A' ' 47' ' ' PRO . . . -76.79 -71.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 1.063 ' HA ' ' CG ' ' A' ' 45' ' ' LYS . 5.9 ptp180 -13.64 -42.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.915 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -131.7 -82.25 0.23 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.819 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -143.6 115.74 8.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.37 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -40.1 147.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.709 ' CB ' HD12 ' A' ' 19' ' ' ILE . 5.7 mmt -109.42 -90.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.942 ' O ' ' O ' ' A' ' 20' ' ' CYS . 18.7 m-20 -130.03 -120.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.064 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 1.3 p30 -179.79 102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.404 ' HD1' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -104.71 169.04 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 111.078 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.416 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -56.57 -178.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 108.301 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.556 ' CG ' ' HB3' ' A' ' 40' ' ' PRO . 38.0 p-10 -165.9 28.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 59.17 13.64 21.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.43 1.081 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.748 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 8.5 tttt -132.82 -60.71 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.593 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 7.1 t -144.32 -179.93 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.673 ' HA ' ' HG3' ' A' ' 40' ' ' PRO . 29.6 p -132.35 63.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 108.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.827 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 10.1 p-10 -141.89 58.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.167 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 90.18 25.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 108.295 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 1.0 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -74.9 67.66 5.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.404 ' CB ' ' HD1' ' A' ' 31' ' ' TYR . 2.9 ttm-85 172.71 48.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.184 ' O ' ' CB ' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -132.02 48.48 3.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.711 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.03 58.83 5.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.505 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -99.39 -142.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.063 ' CG ' ' HA ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.1 47.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.595 ' N ' ' CD ' ' A' ' 47' ' ' PRO . . . 163.82 -45.02 0.32 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.184 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -74.92 -173.88 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.82 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 138.11 90.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.783 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 18.1 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.431 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 1' ' ' GLU . 25.8 t 37.13 -95.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 108.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.745 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -129.29 -3.44 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.745 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 15.7 t 132.52 33.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.926 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 37' ' ' CYS . . . -128.74 126.75 5.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.702 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.96 164.25 33.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.4 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 50.1 m 85.72 65.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.369 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER 171.61 144.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 108.329 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.655 ' HG3' ' CG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -80.54 -17.77 50.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -162.15 -38.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.533 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 8.5 t 173.57 40.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.431 1.082 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.731 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -164.53 71.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.731 ' O ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -4.71 127.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -84.22 -97.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.691 ' O ' ' C ' ' A' ' 16' ' ' GLU . 3.0 ptmt -164.35 83.99 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.691 ' C ' ' O ' ' A' ' 15' ' ' LYS . 32.5 mt-10 -4.87 116.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.1 5.25 7.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.287 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -84.13 92.49 7.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.433 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.374 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -65.49 136.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.316 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -45.65 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.334 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.974 ' N ' ' HB3' ' A' ' 42' ' ' ASN . 2.6 mtpt -138.19 118.01 13.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.519 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -64.59 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.183 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -36.97 -57.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.977 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 11.6 mtm180 -31.03 -29.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.399 1.062 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -144.74 -58.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.566 1.166 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 1.229 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 20.8 t70 -171.48 129.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.184 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -37.48 149.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.891 ' CG ' HD11 ' A' ' 19' ' ' ILE . 83.3 mmm -114.41 -74.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.789 ' O ' ' O ' ' A' ' 20' ' ' CYS . 8.2 m-20 -142.38 -136.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.945 ' HB3' ' HA ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -158.63 107.24 1.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.287 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -103.79 124.98 49.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.4 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -34.76 146.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.761 HD21 ' C ' ' A' ' 49' ' ' THR . 57.2 p30 -129.68 32.49 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.38 19.41 6.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.702 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -136.43 -53.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.679 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 17.6 p -157.26 158.24 35.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 1.8 p -106.67 71.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 108.353 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.532 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 35.7 t70 -143.37 64.51 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.316 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 74.49 39.49 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 108.294 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.929 ' HA ' ' CB ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -75.07 51.29 2.77 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.374 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 47.3 ttt85 -175.21 70.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.0 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -142.55 48.77 1.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.709 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.96 53.99 3.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.519 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -113.73 -135.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.561 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.044 ' CB ' ' HB1' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -20.52 -74.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.026 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -145.28 6.48 1.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.026 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -75.06 -167.02 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.969 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 129.92 93.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.933 ' HB ' ' O ' ' A' ' 39' ' ' CYS . 53.1 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.637 ' N ' ' HA3' ' A' ' 5' ' ' GLY . 65.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 3' ' ' GLU . 1.7 m 66.0 -57.03 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 1' ' ' GLU . 38.2 mt-10 -159.96 47.24 0.26 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 2.4 t 155.31 76.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.905 ' O ' ' HB3' ' A' ' 37' ' ' CYS . . . 146.01 106.93 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.808 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -75.04 141.74 26.89 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.311 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 67.6 m 106.23 57.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.782 ' O ' ' N ' ' A' ' 10' ' ' ASN . 3.1 p 178.14 48.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 108.298 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -1.5 -62.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.782 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -135.04 42.66 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.717 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 79.23 34.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 108.265 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -145.4 -38.99 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.692 ' N ' ' HA ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER 80.78 127.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.728 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER -90.74 -79.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.237 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.656 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER 179.46 84.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.746 ' HA ' ' HD2' ' A' ' 31' ' ' TYR . 33.4 mt-10 11.86 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.649 ' HA2' ' HD3' ' A' ' 41' ' ' ARG . . . 166.19 64.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.044 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -121.32 -17.87 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 110.445 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.107 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 41.73 125.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.117 ' O ' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -47.13 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.287 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.851 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 7.1 mtmp? -141.25 103.59 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.523 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.3 tpp85 -56.48 91.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.999 ' HB3' ' HG3' ' A' ' 47' ' ' PRO . . . -78.16 -27.17 48.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.931 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . 3.9 mtm180 -41.68 -47.0 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 110.237 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.34 -41.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.847 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -164.44 114.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.345 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -42.48 153.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.67 ' CG ' HD13 ' A' ' 19' ' ' ILE . 50.9 mmm -109.94 -93.18 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 1.117 ' O ' ' O ' ' A' ' 20' ' ' CYS . 80.2 m-20 -132.04 -114.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.124 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -179.64 107.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.145 ' CD1' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -110.3 -179.36 3.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.311 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 17.2 p -89.94 116.88 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 108.266 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.757 ' HA ' ' CZ ' ' A' ' 31' ' ' TYR . 30.8 p-10 -98.11 20.16 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.708 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 81.63 2.8 90.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.397 1.061 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.808 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -113.98 -60.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.299 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.748 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 1.7 m -139.18 -179.26 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.442 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.905 ' HB3' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -128.48 39.05 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 108.338 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 21.9 m-20 -98.03 -50.21 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.124 ' HA ' ' CB ' ' A' ' 30' ' ' ASP . 16.7 p -176.37 34.24 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.243 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 1.085 ' HD3' ' H ' ' A' ' 39' ' ' CYS . 18.1 Cg_endo -75.1 90.57 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.145 ' CB ' ' CD1' ' A' ' 31' ' ' TYR . 3.6 ttm-85 168.18 27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.099 HD21 ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -114.38 52.69 0.64 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.882 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.06 50.22 2.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.768 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.523 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -96.08 -136.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.561 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 6.1 mmtt -28.76 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.985 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -147.18 21.93 1.57 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.999 ' HG3' ' HB3' ' A' ' 23' ' ' ALA . 18.1 Cg_endo -75.0 -147.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.519 1.8 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.836 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 106.2 126.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.06 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.899 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 1.1 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 1' ' ' GLU . 14.4 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 10' ' ' ASN . 62.8 m -102.0 30.73 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 108.309 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 77.88 65.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.6 t -166.79 34.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.681 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . 53.67 177.98 0.1 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.98 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -75.06 176.27 10.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.3 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 1.3 m 77.75 37.0 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.784 ' O ' ' N ' ' A' ' 11' ' ' CYS . 10.9 p -158.13 36.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.662 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 3.24 109.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.814 ' OD1' ' N ' ' A' ' 11' ' ' CYS . 1.8 p30 63.81 -44.32 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.814 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 3.7 p 153.25 46.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 108.248 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.679 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -151.46 -34.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.721 ' CA ' ' HA ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 88.22 119.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 1.1 tm? -93.7 -62.97 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.723 ' HB3' ' O ' ' A' ' 14' ' ' LEU . 4.4 ptmt 164.95 100.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.682 ' C ' ' O ' ' A' ' 15' ' ' LYS . 15.2 mt-10 -0.86 83.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.727 ' HA2' ' CD ' ' A' ' 41' ' ' ARG . . . 133.54 101.2 0.74 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.539 1.15 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.119 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -169.82 86.07 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 0.758 . . . . 0.0 110.373 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.302 HG13 ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -33.47 172.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.442 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 28.0 t -120.41 -8.28 9.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.712 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -147.73 -90.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.021 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 137.04 81.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.7 ' CB ' ' HG3' ' A' ' 47' ' ' PRO . . . -106.68 -125.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 1.205 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . 0.1 OUTLIER 17.23 -81.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.703 ' O ' ' NH2' ' A' ' 22' ' ' ARG . . . -175.1 -23.52 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.166 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.696 ' O ' ' NE2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -113.02 110.15 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.973 ' HB3' ' NE ' ' A' ' 22' ' ' ARG . 1.8 p-10 -115.8 -177.97 3.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 1.123 ' H ' ' CG2' ' A' ' 19' ' ' ILE . 2.4 mmt -144.51 -107.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.954 ' O ' ' O ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -146.16 -89.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.119 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -154.93 106.85 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.083 ' HE1' ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -114.93 177.27 4.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 110.951 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.3 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -61.03 -141.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 108.236 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.636 ' C ' ' H ' ' A' ' 35' ' ' LYS . 47.7 t30 148.92 16.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.554 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 64.34 -15.6 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.58 1.175 . . . . 0.0 111.086 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.98 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -95.64 -67.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.776 ' O ' ' CG ' ' A' ' 40' ' ' PRO . 21.0 p -155.45 149.53 25.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.867 ' N ' ' HA ' ' A' ' 6' ' ' PRO . 28.4 p -84.97 52.3 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 108.316 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.98 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.5 t0 -97.46 5.47 49.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.442 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 13.4 p 95.74 30.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 1.083 ' O ' ' HE1' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.97 68.65 5.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.051 ' CB ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -140.38 37.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.342 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.047 ' HA ' ' CG1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -111.79 57.09 0.45 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.404 1.065 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.88 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.0 16.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.302 ' CE1' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -66.46 -147.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 1.134 . . . . 0.0 109.547 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.005 ' H ' ' N ' ' A' ' 24' ' ' ARG . 17.1 mtmm -18.38 -62.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.047 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . 175.1 36.54 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.047 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.6 Cg_endo -74.84 -103.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.624 ' N ' ' OD1' ' A' ' 42' ' ' ASN . . . 74.57 143.74 0.07 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.67 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.727 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.727 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 45.8 t 113.29 40.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.236 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 4' ' ' SER . 12.2 tp10 172.82 -21.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 2.0 t 157.58 -13.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.608 ' O ' ' HA ' ' A' ' 1' ' ' GLU . . . -82.49 150.23 28.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.983 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.98 156.9 43.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.444 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 1.1 m 88.54 63.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.35 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 172.23 99.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.294 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.603 ' HG3' ' CG ' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -55.66 -10.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 3.7 p30 177.64 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 5.3 t 165.39 38.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 108.23 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 26.4 mmtt -149.8 -35.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.634 ' CA ' ' HA ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 65.94 154.96 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.687 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.6 OUTLIER -110.35 -100.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.682 ' O ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -165.47 78.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.38 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.818 ' HA ' ' HD2' ' A' ' 31' ' ' TYR . 47.4 mt-10 19.35 106.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.473 ' CA ' ' HD3' ' A' ' 41' ' ' ARG . . . 135.07 4.15 2.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.422 1.076 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.093 ' O ' ' O ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -67.94 -13.75 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.417 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.146 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 32.62 142.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.129 ' HB3' ' CG ' ' A' ' 42' ' ' ASN . 1.6 t -68.34 -93.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 108.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.187 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 4.5 mtpm? -115.06 127.62 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.521 ' H ' ' CA ' ' A' ' 27' ' ' ASP . 6.1 tpp85 -66.4 59.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.29 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -36.22 -46.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.844 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 21.4 mtm180 -49.24 -15.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 22' ' ' ARG . . . -160.5 -41.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.16 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.944 ' N ' ' O ' ' A' ' 22' ' ' ARG . 15.7 t70 -170.69 -104.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.521 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -163.3 147.05 10.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.651 ' HG3' HG22 ' A' ' 19' ' ' ILE . 73.2 mmm -100.9 -69.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.794 ' C ' ' O ' ' A' ' 19' ' ' ILE . 61.1 m-20 -153.38 -125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.208 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.065 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -164.74 115.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.228 ' CD1' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -117.81 179.81 3.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.444 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 24.5 p -84.28 114.05 21.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 108.275 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.791 ' HB3' ' O ' ' A' ' 40' ' ' PRO . 52.1 p-10 -89.97 15.74 9.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.716 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 73.81 9.78 79.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.983 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -129.65 -44.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.383 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.703 ' C ' ' HA ' ' A' ' 6' ' ' PRO . 4.8 m -157.36 174.57 15.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 17.7 p -128.44 103.54 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 1.059 ' H ' ' HD3' ' A' ' 40' ' ' PRO . 0.3 OUTLIER 179.05 39.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.021 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 0.8 OUTLIER 98.6 19.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.329 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 1.059 ' HD3' ' H ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.98 69.81 5.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.228 ' CB ' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -173.61 29.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.129 ' CG ' ' HB3' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -108.95 60.44 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.913 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.96 52.64 3.09 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.532 1.807 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.29 ' HD2' ' N ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -113.23 -150.47 0.47 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.823 ' N ' ' HB1' ' A' ' 23' ' ' ALA . 6.3 mmtt -6.62 -73.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.002 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -175.07 34.51 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.586 1.179 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.002 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -75.07 -105.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 47' ' ' PRO . . . 76.08 126.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.912 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 37' ' ' CYS . 12.7 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.7 t -100.26 -53.51 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 4' ' ' SER . 6.5 tp10 -122.43 -35.65 3.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 1.2 t 152.07 -11.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.557 1.161 . . . . 0.0 110.037 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.507 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -98.98 146.03 17.95 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.773 ' C ' ' HB3' ' A' ' 32' ' ' CYS . 18.4 Cg_endo -75.04 -172.27 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.437 1.756 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.38 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 1.3 m 74.48 36.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' O ' ' N ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -165.23 73.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.331 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.611 ' NH2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -21.73 -41.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.7 p30 -141.9 -46.05 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 109.213 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.525 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 6.6 t 179.42 38.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 108.238 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -167.66 66.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.666 ' C ' ' O ' ' A' ' 12' ' ' LYS . 2.2 t80 -4.72 116.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.611 HD22 ' NH2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -69.97 -75.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.667 ' O ' ' C ' ' A' ' 16' ' ' GLU . 5.7 ptmt 170.03 96.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.667 ' C ' ' O ' ' A' ' 15' ' ' LYS . 18.5 mt-10 -10.05 86.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.687 ' HA2' ' CD ' ' A' ' 41' ' ' ARG . . . 144.59 62.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.304 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -140.06 93.91 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 110.364 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.139 ' CG2' ' H ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -48.16 170.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.73 ' HA ' ' CB ' ' A' ' 39' ' ' CYS . 11.8 t -117.57 -32.03 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 108.298 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.694 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 27.7 mmtt -160.39 107.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.209 ' NH2' ' H ' ' A' ' 27' ' ' ASP . 10.4 tpp85 -50.21 92.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.086 ' C ' ' HG3' ' A' ' 45' ' ' LYS . . . -77.45 -128.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 1.442 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -36.98 -58.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.364 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.671 ' O ' ' CB ' ' A' ' 26' ' ' ASP . . . 169.37 110.64 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.939 ' H ' ' NE ' ' A' ' 22' ' ' ARG . 2.0 t70 140.45 67.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.209 ' H ' ' NH2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -103.07 165.38 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 1.139 ' H ' ' CG2' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -137.45 -63.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.983 ' O ' ' O ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER 180.0 -92.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.304 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -158.07 105.43 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.082 ' CE1' ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -111.97 170.15 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.38 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -60.94 -152.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 108.298 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.871 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 7.7 p-10 151.41 39.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.363 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.604 ' N ' ' CG ' ' A' ' 6' ' ' PRO . . . 26.29 73.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.577 1.173 . . . . 0.0 111.061 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.769 ' H ' ' HG3' ' A' ' 6' ' ' PRO . 52.7 tttt 174.35 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.665 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 0.8 OUTLIER 169.25 143.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.713 ' CA ' ' HA ' ' A' ' 6' ' ' PRO . 11.1 p -92.25 82.09 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.268 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 1.021 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 57.3 t0 -124.76 9.84 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.021 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 14.3 p 95.44 32.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.342 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 1.082 ' O ' ' CE1' ' A' ' 31' ' ' TYR . 18.1 Cg_endo -75.03 70.26 5.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.957 ' HB3' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -145.17 36.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.076 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -115.68 64.76 2.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.721 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.93 27.57 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.162 ' CB ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -90.37 -153.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.639 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.442 ' HG3' ' N ' ' A' ' 24' ' ' ARG . 12.0 mtmt -1.05 -76.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.04 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . 175.86 38.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.04 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.3 Cg_endo -75.01 -92.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.422 ' N ' ' OD1' ' A' ' 42' ' ' ASN . . . 69.77 132.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 1.057 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 14.9 m . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.557 ' N ' ' HA3' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.576 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER 161.74 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 108.298 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.659 ' O ' ' CB ' ' A' ' 4' ' ' SER . 5.7 tp10 -158.38 63.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 4.4 t 101.15 54.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.733 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -167.82 139.12 5.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.969 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -75.01 162.31 37.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.387 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 83.07 50.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.288 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.898 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 176.82 65.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.306 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.634 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -16.35 -50.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.68 ' N ' ' O ' ' A' ' 8' ' ' CYS . 6.8 p30 -132.44 -42.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.7 t 177.88 44.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 108.316 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.601 ' O ' ' C ' ' A' ' 13' ' ' PHE . 14.0 ptpt -168.94 78.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.601 ' C ' ' O ' ' A' ' 12' ' ' LYS . 4.5 t80 -18.17 131.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.681 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -81.8 -112.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' N ' HD22 ' A' ' 14' ' ' LEU . 15.0 pttm -153.29 53.4 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' LYS . 47.0 mt-10 31.29 89.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.564 ' HA2' ' HD3' ' A' ' 41' ' ' ARG . . . 138.45 61.75 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.015 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -142.58 72.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.361 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.245 ' HB ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -43.63 152.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.331 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 26.7 t -79.98 -54.71 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 108.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.843 ' O ' ' HB3' ' A' ' 42' ' ' ASN . 47.8 mmtt -132.63 154.0 50.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.161 ' NH2' ' H ' ' A' ' 27' ' ' ASP . 4.0 tpp85 -88.05 99.69 12.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.229 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.926 ' CB ' ' HG3' ' A' ' 47' ' ' PRO . . . -83.05 -113.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 1.103 ' N ' ' CG ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -48.8 -55.25 12.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 110.237 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.684 ' O ' ' CB ' ' A' ' 26' ' ' ASP . . . 168.59 109.86 0.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.429 1.08 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 1.094 ' H ' ' NE ' ' A' ' 22' ' ' ARG . 2.9 t70 139.49 61.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.161 ' H ' ' NH2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -91.68 164.69 13.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 1.055 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.2 mmt -147.56 -92.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.598 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -157.02 -87.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.015 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -157.47 119.72 3.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.005 ' CZ ' ' HA ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -122.04 178.35 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.387 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 15.0 p -94.41 106.56 18.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 1.143 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -92.19 12.05 23.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.885 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 83.45 -13.11 48.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.969 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 4.6 tptt -95.74 -57.91 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.828 ' O ' ' CG ' ' A' ' 40' ' ' PRO . 12.6 p -158.14 162.38 37.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.733 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 28.0 p -97.33 49.24 1.05 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.55 1.156 . . . . 0.0 108.278 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.944 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -99.58 7.13 45.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.331 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 11.6 p 96.46 30.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 108.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 1.114 ' HB3' ' C ' ' A' ' 49' ' ' THR . 18.5 Cg_endo -74.93 67.9 5.79 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.245 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -141.71 35.61 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.995 ' HA ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.93 61.24 0.23 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.919 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.97 24.63 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.556 1.819 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.088 ' CB ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -79.47 -146.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.621 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.103 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 9.7 mmtt -16.78 -67.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.029 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . 174.33 38.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.14 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.029 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -75.0 -97.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASN . . . 78.48 136.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 1.114 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.405 1.066 . . . . 0.0 110.454 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.568 ' N ' ' HG3' ' A' ' 1' ' ' GLU . 0.1 OUTLIER -33.57 -59.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 108.317 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' A' ' 1' ' ' GLU . 1.1 tt0 -105.8 -40.94 5.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 4.7 t 163.43 -23.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.073 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.584 ' O ' ' CG ' ' A' ' 1' ' ' GLU . . . -58.05 119.53 17.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 1.094 ' C ' ' HB3' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.02 168.64 24.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.433 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 71.7 m 107.13 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 108.292 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 1.37 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -69.1 148.53 49.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 108.353 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.641 ' HD3' ' ND2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -98.97 2.75 46.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.641 ' ND2' ' HD3' ' A' ' 9' ' ' ARG . 16.8 p30 -178.07 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.609 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -179.41 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.533 ' C ' ' HA ' ' A' ' 8' ' ' CYS . 4.5 ptmt -123.09 138.37 54.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.825 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 3.8 t80 -50.65 141.08 13.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.559 ' HA ' ' NH2' ' A' ' 9' ' ' ARG . 1.3 tm? -98.5 -77.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 13' ' ' PHE . 6.4 tttp 175.19 104.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.608 ' C ' ' O ' ' A' ' 15' ' ' LYS . 27.9 mt-10 -19.78 132.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.322 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' HA2' ' NE ' ' A' ' 41' ' ' ARG . . . 98.85 18.49 24.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.057 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -76.16 -17.39 59.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.759 . . . . 0.0 110.336 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.286 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 36.46 136.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.199 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -49.45 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.918 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 6.2 mttm -139.67 91.2 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.584 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -38.58 86.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.784 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -70.62 -73.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.925 ' N ' ' H ' ' A' ' 45' ' ' LYS . 4.6 ptp180 -25.62 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.784 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -133.63 -112.11 1.29 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.865 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -114.66 108.02 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.734 . . . . 0.0 109.374 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.256 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -37.6 146.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.847 ' CB ' HD11 ' A' ' 19' ' ' ILE . 81.0 mmm -106.76 -101.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 1.063 ' O ' ' O ' ' A' ' 20' ' ' CYS . 69.4 m-20 -133.17 -113.14 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.057 ' C ' ' HB ' ' A' ' 18' ' ' THR . 7.3 p30 -166.46 119.28 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.278 ' HD2' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -110.93 143.15 42.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.433 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 2.1 p -52.15 128.44 24.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.928 HD21 ' C ' ' A' ' 49' ' ' THR . 43.9 p30 -107.2 21.71 17.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 64.42 22.86 67.97 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.699 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -145.34 -47.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.825 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 89.1 m -155.48 162.15 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.37 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -113.73 70.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.239 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.726 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 23.1 p-10 -143.18 66.94 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.199 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 70.77 33.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.924 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.07 54.54 3.71 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.762 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.286 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 12.6 ttt85 -176.07 61.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.964 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -133.02 52.19 8.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.98 36.87 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.584 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -92.25 -134.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.925 ' H ' ' N ' ' A' ' 24' ' ' ARG . 4.7 mmmt -21.89 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.099 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -140.1 11.27 3.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.099 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -74.99 -164.55 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.802 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.799 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 129.52 94.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.928 ' C ' HD21 ' A' ' 33' ' ' ASN . 3.7 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.432 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.0 t -108.1 -64.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.237 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' A' ' 4' ' ' SER . 0.5 OUTLIER -129.44 31.64 4.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.572 ' HB3' ' O ' ' A' ' 3' ' ' GLU . 24.4 t 73.25 0.13 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.608 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -97.41 141.08 15.41 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.902 ' HG3' ' H ' ' A' ' 35' ' ' LYS . 18.3 Cg_endo -75.01 170.36 20.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.476 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 50.6 m 79.2 42.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.295 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.834 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -159.32 61.72 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 108.312 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.615 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.9 ptt180 -18.15 -56.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.718 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.7 p30 -137.09 9.14 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.718 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 35.4 t 110.95 70.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 108.296 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER 171.58 -26.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.626 ' CE2' ' HB3' ' A' ' 7' ' ' CYS . 0.5 OUTLIER 83.16 123.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.64 ' HB3' HG22 ' A' ' 18' ' ' THR . 3.2 tm? -85.35 -70.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.62 ' O ' ' N ' ' A' ' 17' ' ' GLY . 2.1 tttt 171.75 105.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 15' ' ' LYS . 2.8 mt-10 -25.31 87.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.801 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 165.68 -23.76 0.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.966 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -40.33 -169.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.435 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.162 ' CA ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -171.34 123.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.266 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 1.4 t -37.55 -87.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.155 . . . . 0.0 108.348 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.069 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -137.51 129.03 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.613 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.0 tpp85 -69.02 63.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.995 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -39.06 -71.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.872 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 5.7 ptp180 -36.67 -22.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -140.99 -94.22 0.23 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 1.141 ' C ' ' HB3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -149.88 112.77 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.445 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -23.28 140.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.655 ' CB ' HD11 ' A' ' 19' ' ' ILE . 22.7 mmm -106.13 -62.6 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 1.015 ' O ' ' O ' ' A' ' 19' ' ' ILE . 4.4 m-20 -147.46 -131.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.037 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 2.4 p-10 -173.29 102.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.112 ' HD1' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -100.85 162.45 12.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.476 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -54.78 -151.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.222 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.828 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 17.4 p-10 154.11 39.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.676 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . . . 28.32 65.99 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.902 ' H ' ' HG3' ' A' ' 6' ' ' PRO . 5.6 mttp 178.72 -33.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 0.722 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.615 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 9.7 t -177.86 165.0 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.671 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 26.8 p -127.09 60.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.716 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 2.0 t0 -137.87 67.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.266 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER 72.14 32.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.929 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.01 55.37 3.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.162 ' O ' ' CA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -171.43 74.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.047 ' CG ' ' HB3' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -151.26 59.39 3.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.09 47.02 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.613 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -104.3 -146.93 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.62 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.668 ' C ' ' O ' ' A' ' 44' ' ' HIS . 1.3 mmpt? -14.74 -82.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.914 ' N ' ' HD3' ' A' ' 47' ' ' PRO . . . -150.43 27.87 1.08 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.995 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.96 -154.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.782 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.921 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 114.7 123.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.673 ' C ' ' ND2' ' A' ' 33' ' ' ASN . 1.1 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.442 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLU . 0.8 OUTLIER -39.84 -46.93 2.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.628 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -179.85 48.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.685 ' O ' ' HA ' ' A' ' 36' ' ' THR . 2.5 t 95.96 -66.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.621 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -37.57 123.55 1.11 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.957 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.5 Cg_endo -74.92 170.66 19.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.413 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.3 m 76.94 63.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.33 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.621 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -154.14 -41.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.311 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.588 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 73.65 -48.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.58 ' ND2' ' C ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -158.72 23.75 0.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 2.5 t 86.61 66.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 108.404 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.0 mtpt 167.39 -23.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.59 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 81.35 123.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -85.46 -60.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 161.07 107.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.585 ' C ' ' O ' ' A' ' 15' ' ' LYS . 32.7 mt-10 -22.06 84.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.677 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . 148.57 60.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.778 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -134.86 62.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.375 HG13 ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.34 150.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.314 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -64.74 -74.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.844 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 3.7 mmtm -124.11 157.91 33.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.209 HH11 ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -84.85 95.84 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.065 ' HB1' ' CG ' ' A' ' 47' ' ' PRO . . . -88.87 -59.81 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.939 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 13.2 mtm180 -49.32 -63.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 1.209 ' N ' HH11 ' A' ' 22' ' ' ARG . . . -170.45 -46.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 1.192 ' O ' ' NH2' ' A' ' 22' ' ' ARG . 11.7 t0 -121.41 120.47 35.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.061 ' HB3' ' CB ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -97.68 -175.04 3.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.858 ' CG ' HG23 ' A' ' 19' ' ' ILE . 15.5 mmt -122.69 -72.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.643 ' C ' ' O ' ' A' ' 19' ' ' ILE . 1.2 m-20 -175.73 -94.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 109.372 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.821 ' CB ' ' N ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -171.09 104.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.061 ' CD1' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -114.55 -173.89 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.413 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -62.51 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 108.363 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.782 ' ND2' ' C ' ' A' ' 49' ' ' THR . 24.1 p-10 159.92 23.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.635 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 65.29 1.41 7.45 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.957 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -126.02 -78.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.816 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 55.6 m -118.43 174.13 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.897 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 29.1 p -140.45 84.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 1.16 ' H ' ' CD ' ' A' ' 40' ' ' PRO . 10.0 t70 173.62 52.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.314 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER 119.16 -0.57 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 108.278 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 1.16 ' CD ' ' H ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.95 84.47 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.107 ' O ' ' HB ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER 163.48 33.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.076 ' HA ' ' CG1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -109.82 44.88 0.2 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.967 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.93 48.73 2.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.465 1.771 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.375 ' CE1' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -98.75 -135.13 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.58 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.84 ' N ' ' HB2' ' A' ' 23' ' ' ALA . 1.9 mmtm -21.22 -59.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.258 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -164.6 5.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.258 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -75.06 -175.19 2.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.731 ' CB ' ' O ' ' A' ' 47' ' ' PRO . . . 142.11 110.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.782 ' C ' ' ND2' ' A' ' 33' ' ' ASN . 1.9 m . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.375 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.747 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.545 ' C ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER -31.54 93.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.223 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 1' ' ' GLU . 0.2 OUTLIER 31.21 58.22 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.467 ' O ' ' OG ' ' A' ' 4' ' ' SER . 3.1 t 168.3 47.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.747 ' O ' ' HA ' ' A' ' 1' ' ' GLU . . . 149.55 143.2 3.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.653 ' HA ' ' N ' ' A' ' 37' ' ' CYS . 18.3 Cg_endo -75.06 162.27 37.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.257 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 82.43 64.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 108.282 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.654 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 171.61 104.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.247 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.568 ' NH1' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.89 -17.88 64.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.155 . . . . 0.0 110.241 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.743 ' N ' HD21 ' A' ' 10' ' ' ASN . 0.1 OUTLIER 172.05 37.25 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 5.4 m 88.38 67.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 5.0 tptt 179.46 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 15' ' ' LYS . 7.0 t80 61.57 145.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.666 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.5 OUTLIER -104.93 -78.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER 169.71 86.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.654 ' C ' ' O ' ' A' ' 15' ' ' LYS . 43.4 mt-10 13.42 106.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.326 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.491 ' HA2' ' NE ' ' A' ' 41' ' ' ARG . . . 130.92 23.42 0.95 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.562 1.163 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.032 ' O ' ' O ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -89.81 -6.78 55.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 0.0 110.452 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.23 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 35.74 146.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.296 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -66.54 -89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.983 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 5.2 mttm -129.52 112.2 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.591 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 11.1 tpp85 -54.84 65.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.125 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -44.1 -52.41 7.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.977 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 18.5 mtm180 -37.18 -29.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -142.56 -38.66 0.07 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 1.052 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -174.63 -108.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.369 0.688 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.404 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -164.49 141.86 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.722 ' CB ' HD11 ' A' ' 19' ' ' ILE . 10.0 mmt -99.72 -70.51 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 1.077 ' O ' ' O ' ' A' ' 19' ' ' ILE . 6.3 m-20 -158.56 -133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.01 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.7 OUTLIER -150.23 126.43 10.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.371 ' HD2' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -115.41 142.67 46.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.257 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 23.7 p -67.98 94.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.368 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.815 ' HB3' ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -98.32 10.55 40.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.649 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . . . 96.05 16.76 37.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 40' ' ' PRO . 18.6 tptt -95.51 -101.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.673 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 13.7 t -148.33 18.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.673 ' SG ' ' O ' ' A' ' 36' ' ' THR . 8.6 p 61.94 51.87 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.749 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 7.3 t70 -127.86 50.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.296 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER 79.14 34.16 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.332 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.927 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -74.99 60.3 5.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.555 1.818 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.371 ' CB ' ' HD2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -177.67 61.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.137 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -134.89 56.53 17.32 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.97 50.08 2.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.427 1.751 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.591 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -105.28 -138.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.603 ' C ' ' O ' ' A' ' 44' ' ' HIS . 8.9 mmmt -21.69 -78.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.011 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -152.92 24.56 0.81 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.497 1.123 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.011 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.3 Cg_endo -75.04 -160.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.802 ' CB ' ' O ' ' A' ' 47' ' ' PRO . . . 127.81 121.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.653 ' HB ' ' O ' ' A' ' 39' ' ' CYS . 1.2 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.446 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 1' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -57.99 -73.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.255 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.547 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 8.3 pt-20 157.92 52.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.3 t -178.41 54.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.6 175.05 45.23 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.948 ' HA ' ' HB3' ' A' ' 37' ' ' CYS . 18.4 Cg_endo -75.02 175.22 11.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.053 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.406 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.6 OUTLIER 83.75 43.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 108.335 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.695 ' O ' ' C ' ' A' ' 9' ' ' ARG . 1.6 p -146.06 29.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.695 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -2.82 114.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.728 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 27.01 67.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.642 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.1 t 46.65 67.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 108.312 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.642 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 2.6 tttt 151.37 75.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 15' ' ' LYS . 9.9 t80 -34.0 136.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.909 ' HB3' HG21 ' A' ' 18' ' ' THR . 1.9 tm? -103.0 -58.19 1.91 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER 154.46 100.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.666 ' C ' ' O ' ' A' ' 15' ' ' LYS . 40.9 mt-10 -9.35 121.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.756 ' HA2' ' HD3' ' A' ' 41' ' ' ARG . . . 116.46 12.22 9.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.411 1.069 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.077 ' O ' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -72.73 -11.39 60.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 110.364 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 1.133 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 33.89 144.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.299 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 1.0 OUTLIER -64.14 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.033 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 11.1 mtmt -130.85 112.01 12.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 1.643 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.2 tpp85 -55.02 64.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 110.365 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.094 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -42.32 -59.9 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.972 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 49.3 mtm180 -30.3 -33.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.602 1.189 . . . . 0.0 110.31 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -136.35 -41.37 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 1.066 ' N ' ' O ' ' A' ' 22' ' ' ARG . 22.9 t70 -172.35 -111.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 1.364 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -160.89 142.05 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.872 ' CB ' HD12 ' A' ' 19' ' ' ILE . 6.8 mmm -95.6 -77.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.731 ' C ' ' O ' ' A' ' 19' ' ' ILE . 8.2 m-20 -151.07 -119.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 1.025 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -170.67 110.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.355 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 1.299 ' HD1' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.42 152.66 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.178 . . . . 0.0 110.995 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.406 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -40.11 -98.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.383 1.052 . . . . 0.0 108.243 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 1.038 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER 100.38 -27.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.347 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.763 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 115.51 19.89 5.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.877 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -110.67 -81.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.579 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 45.4 p -146.12 -26.64 0.43 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.606 1.191 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.948 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER 94.44 31.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.346 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.881 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 58.9 t0 -113.82 58.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.621 1.201 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.299 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 83.5 25.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.997 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.02 62.94 5.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 1.299 ' CB ' ' HD1' ' A' ' 31' ' ' TYR . 6.1 ttm-85 -178.09 47.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 1.144 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -120.58 54.5 3.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.749 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.98 50.68 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.442 1.759 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 1.643 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -103.88 -138.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.639 ' HG3' ' C ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -22.19 -73.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 1.114 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -155.4 20.4 0.54 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.114 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.1 Cg_endo -74.99 -160.98 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.839 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 126.86 121.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.671 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 1.9 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.465 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.473 ' C ' ' O ' ' A' ' 1' ' ' GLU . 17.1 t -36.61 -44.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.627 ' O ' ' CB ' ' A' ' 4' ' ' SER . 5.1 pt-20 -134.66 -35.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 3.4 t 147.12 -14.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.47 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -78.61 140.55 23.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.014 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.2 Cg_endo -74.92 161.75 38.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.562 1.822 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.241 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.8 OUTLIER 78.7 54.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.268 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.671 ' O ' ' C ' ' A' ' 9' ' ' ARG . 17.7 p -177.36 43.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 108.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.671 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 ptt180 -9.57 -72.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -125.62 41.55 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 73.64 72.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 108.343 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 0.0 OUTLIER 172.35 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' N ' ' HA ' ' A' ' 8' ' ' CYS . 14.1 t80 62.1 138.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.637 HD12 ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -94.1 -86.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.67 ' O ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -175.78 78.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.67 ' O ' ' O ' ' A' ' 15' ' ' LYS . 32.8 mt-10 15.62 106.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.609 ' H ' ' HB2' ' A' ' 31' ' ' TYR . . . 142.18 -8.71 2.43 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.161 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -68.11 78.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.604 0.826 . . . . 0.0 110.448 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.119 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.81 134.31 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.38 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -46.22 -91.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 108.41 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.025 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 8.0 mtpt -131.41 118.31 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.434 ' HA ' ' ND1' ' A' ' 44' ' ' HIS . 9.7 tpp85 -62.06 64.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.887 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -44.18 -54.96 5.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 1.012 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 46.4 mtm180 -36.25 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -143.56 -43.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 1.093 ' N ' ' O ' ' A' ' 22' ' ' ARG . 59.2 m-20 -166.7 -118.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 0.816 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.373 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -157.47 145.7 19.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.935 ' HB2' HD13 ' A' ' 19' ' ' ILE . 17.4 mmt -101.85 -88.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.161 ' CB ' HG22 ' A' ' 18' ' ' THR . 7.6 m-20 -143.94 -136.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.112 ' HB3' ' H ' ' A' ' 39' ' ' CYS . 39.0 m-20 -149.19 116.22 6.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.574 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -118.67 161.16 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.241 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 13.4 p -74.04 107.19 6.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 108.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.848 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -90.14 10.71 23.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.36 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 87.12 13.55 65.98 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.826 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -131.02 -52.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 0.737 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.799 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 9.5 t -154.05 -177.0 6.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' HB2' ' H ' ' A' ' 8' ' ' CYS . 31.1 p -131.57 60.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.83 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 8.5 t0 -137.31 52.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.38 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 86.31 28.07 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 108.246 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.096 ' HG2' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 62.83 5.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.564 1.823 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.574 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.0 ttm-85 -177.77 54.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.189 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 2.3 p-10 -132.26 55.8 19.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.95 47.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.434 ' ND1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -101.23 -140.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.621 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.887 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -21.72 -77.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.03 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -151.55 24.81 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.189 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -75.03 -151.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.062 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 112.44 121.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.661 ' HB ' ' O ' ' A' ' 39' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.367 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 1' ' ' GLU . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 43.0 t -75.66 -0.09 19.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.23 60.09 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.3 t -170.74 27.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.67 171.32 33.04 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.861 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.98 176.02 10.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.258 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 75.85 49.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.688 ' O ' ' C ' ' A' ' 9' ' ' ARG . 29.4 p -170.94 50.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -3.91 -80.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.872 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 4.6 p30 -106.56 -34.12 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.872 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 5.7 t 157.13 72.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 171.95 -21.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.77 ' HB2' ' O ' ' A' ' 7' ' ' CYS . 16.0 t80 63.72 150.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -109.59 -84.44 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.686 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -175.73 93.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 15' ' ' LYS . 32.6 mt-10 -1.12 107.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.778 ' H ' ' HB2' ' A' ' 31' ' ' TYR . . . 143.36 -7.92 2.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.04 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -70.17 84.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.793 . . . . 0.0 110.394 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.327 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.83 138.0 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.291 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -48.7 -89.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 108.339 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.018 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 1.4 mtmt -129.32 121.55 27.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.333 ' N ' ' HA ' ' A' ' 27' ' ' ASP . 7.5 tpp85 -63.51 58.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.088 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -33.6 -65.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.958 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 27.3 mtm180 -28.27 -32.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -137.5 -45.38 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.973 ' N ' ' O ' ' A' ' 22' ' ' ARG . 26.2 t0 -168.71 -117.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 0.805 . . . . 0.0 109.376 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.333 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -150.8 146.02 26.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.148 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.036 ' CG ' HD13 ' A' ' 19' ' ' ILE . 32.5 mmt -101.71 -84.31 0.45 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.589 1.18 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.04 ' CB ' HG22 ' A' ' 18' ' ' THR . 5.6 m-20 -148.51 -138.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.902 ' HB3' ' H ' ' A' ' 39' ' ' CYS . 14.9 m-20 -140.59 121.74 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.246 ' HD2' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -116.93 114.41 23.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.258 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 21.4 p -32.96 127.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.812 HD22 ' C ' ' A' ' 49' ' ' THR . 47.2 p30 -111.55 19.96 17.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.715 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 76.15 -6.76 33.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.861 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -109.45 -67.93 0.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 0.742 . . . . 0.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.679 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 14.6 m -146.15 161.59 39.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.57 1.169 . . . . 0.0 110.417 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.551 ' HA ' ' HG3' ' A' ' 40' ' ' PRO . 11.7 p -104.72 80.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 108.337 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.8 t70 -147.06 58.13 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.291 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER 77.15 39.13 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 108.296 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.033 ' HA ' ' CB ' ' A' ' 49' ' ' THR . 18.4 Cg_endo -74.97 55.28 3.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.552 1.817 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.327 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -178.17 68.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.068 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 5.8 p-10 -140.58 51.29 2.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.06 50.9 2.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.274 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -109.44 -137.46 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.088 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 2.5 mmpt? -18.32 -73.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.076 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -148.25 6.29 0.94 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.425 1.078 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.076 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 18.5 Cg_endo -74.99 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.848 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 135.37 94.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 1.033 ' CB ' ' HA ' ' A' ' 40' ' ' PRO . 53.8 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.072 . . . . 0.0 110.428 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.89 ' H1 ' ' HA3' ' A' ' 5' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER -35.09 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 1' ' ' GLU . 0.3 OUTLIER -169.04 37.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.364 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.68 ' C ' ' H2 ' ' A' ' 1' ' ' GLU . 1.4 t 159.19 73.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.89 ' HA3' ' H1 ' ' A' ' 1' ' ' GLU . . . 165.88 125.4 0.77 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.006 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.1 Cg_endo -75.07 145.36 31.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.428 1.752 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.419 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 46.2 m 100.23 68.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.597 ' HA ' ' HA ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 169.39 122.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 108.339 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.876 ' NH1' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -70.95 -4.58 25.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.521 ' CG ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -175.05 -40.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.536 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 38.5 t 178.83 35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 108.319 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -138.66 -90.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.787 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 8.8 t80 138.93 130.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -92.58 -82.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.684 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -178.74 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.684 ' C ' ' O ' ' A' ' 15' ' ' LYS . 37.0 mt-10 -4.71 76.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -171.38 -47.17 0.04 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.254 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -34.82 137.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 0.721 . . . . 0.0 110.435 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.239 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -116.1 120.37 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.232 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -23.0 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 108.315 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.956 ' CA ' ' HB2' ' A' ' 27' ' ' ASP . 23.9 mtpp -152.97 99.26 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.562 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 4.9 tpp85 -46.81 88.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.861 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -68.36 -81.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 1.022 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 2.7 ptp180 -15.06 -43.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.861 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -124.3 -104.34 1.58 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.946 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -122.49 113.67 19.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.355 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.393 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -39.51 146.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.078 ' HB2' HG23 ' A' ' 19' ' ' ILE . 43.3 mmm -106.04 -91.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.254 ' CB ' HG22 ' A' ' 18' ' ' THR . 41.7 m-20 -138.98 -124.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.045 ' HB3' ' HA ' ' A' ' 39' ' ' CYS . 3.9 p-10 -166.37 113.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.226 ' HB3' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -108.27 156.93 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.419 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 4.4 p -69.77 117.68 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.933 ' ND2' ' C ' ' A' ' 49' ' ' THR . 52.2 p-10 -99.66 30.34 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.636 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 57.74 11.58 8.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.564 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -122.79 -36.63 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.407 0.71 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.847 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 14.7 t -173.14 174.46 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.722 ' HB3' ' O ' ' A' ' 5' ' ' GLY . 12.4 p -121.47 52.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 108.322 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.815 ' O ' HG21 ' A' ' 49' ' ' THR . 4.4 m-20 -130.66 67.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.232 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 69.97 34.81 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 108.315 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.944 ' HG2' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.06 52.91 3.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.239 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 2.5 tpt85 -172.42 97.36 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.134 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 3.1 p-10 177.95 59.67 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.37 1.044 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.99 34.91 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.562 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -86.46 -137.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.628 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.022 ' HG2' ' HA ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -26.63 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.942 ' N ' ' HD3' ' A' ' 47' ' ' PRO . . . -141.03 25.31 2.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.134 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.0 Cg_endo -75.06 -159.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.985 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 112.06 124.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.933 ' C ' ' ND2' ' A' ' 33' ' ' ASN . 62.8 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.496 ' C ' ' O ' ' A' ' 1' ' ' GLU . 1.3 t -35.09 -71.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.4 1.063 . . . . 0.0 108.351 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -151.94 35.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 110.252 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER 87.28 36.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.956 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.599 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -127.79 130.9 6.88 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.445 1.091 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.986 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.4 Cg_endo -74.97 145.2 31.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.758 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.513 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 60.5 m 97.61 59.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 108.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.599 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER 179.84 88.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.508 1.13 . . . . 0.0 108.249 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.83 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -41.59 -25.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.465 ' CG ' ' N ' ' A' ' 11' ' ' CYS . 6.9 p30 -146.04 -46.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' N ' ' CG ' ' A' ' 10' ' ' ASN . 26.8 t 179.14 47.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 108.315 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 3.6 tppt? -151.02 -89.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.653 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER 168.99 98.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.912 HD12 ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -42.42 -100.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.529 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -173.79 29.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.722 ' H ' HD23 ' A' ' 14' ' ' LEU . 47.8 mt-10 52.69 108.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.578 ' C ' ' HD3' ' A' ' 41' ' ' ARG . . . 121.7 11.43 5.96 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.242 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -89.61 71.87 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 0.825 . . . . 0.0 110.416 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.175 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -46.59 139.5 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.043 ' HB3' ' CG ' ' A' ' 42' ' ' ASN . 1.4 t -58.73 -95.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 108.349 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.283 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 8.9 mttp -115.78 129.94 56.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.544 ' H ' ' CA ' ' A' ' 27' ' ' ASP . 8.0 tpp85 -68.16 60.08 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.177 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -32.34 -58.54 0.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.878 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 19.5 mtm180 -39.17 -25.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 22' ' ' ARG . . . -145.26 -50.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.406 1.066 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.925 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -164.54 -102.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.544 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -162.26 151.83 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.051 ' HB2' HG23 ' A' ' 19' ' ' ILE . 35.2 mmt -106.57 -71.18 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.242 ' CB ' HG22 ' A' ' 18' ' ' THR . 1.6 m-20 -147.15 -136.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.912 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -159.53 112.85 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.502 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -118.14 175.45 5.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.513 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 5.5 p -81.3 114.83 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 108.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.8 ' HB3' ' O ' ' A' ' 40' ' ' PRO . 49.0 p-10 -97.58 20.58 11.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.235 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.715 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 70.6 11.9 69.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.729 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 45.5 tttp -132.43 -47.38 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.74 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.713 ' C ' ' HG3' ' A' ' 40' ' ' PRO . 1.9 m -146.12 -179.58 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 20.5 p -138.77 54.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.853 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 8.0 t70 -140.22 49.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.985 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 0.7 OUTLIER 95.68 25.06 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.165 ' HG2' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.97 66.32 6.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.502 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -171.67 34.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.333 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 1.8 p-10 -112.86 60.15 0.65 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.832 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.0 47.7 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.75 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.282 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -108.57 -151.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.084 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 60.6 mmtt -6.9 -73.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.016 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -174.09 35.27 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.333 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.93 -111.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.442 1.759 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.792 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 83.2 128.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.923 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.455 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 3.0 t -69.56 -49.47 53.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 108.236 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -167.77 -14.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 4.1 t 164.03 -23.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 110.045 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.662 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -70.82 122.32 10.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.214 ' C ' ' HB3' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.04 -30.11 7.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.273 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 61.9 m -77.21 67.39 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 108.319 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.761 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 25.9 p -168.37 75.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.758 ' HG2' ' CG ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -24.05 -48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.758 ' CG ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -127.71 -40.99 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 48.5 t 172.64 36.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' O ' ' C ' ' A' ' 13' ' ' PHE . 7.2 ptpt -170.73 81.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.688 ' CD1' ' HB3' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -11.27 120.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.539 HD22 ' CZ ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -83.41 -83.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.358 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.673 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -176.82 81.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.378 1.049 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.673 ' C ' ' O ' ' A' ' 15' ' ' LYS . 30.1 mt-10 -0.18 108.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.602 ' HA2' ' HD3' ' A' ' 41' ' ' ARG . . . 128.83 12.74 2.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.082 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -69.2 -16.61 63.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.396 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.117 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 36.51 143.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.382 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -65.75 -88.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.156 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 14.9 mtpp -124.21 126.23 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.458 ' N ' ' HA ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -65.47 59.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.063 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -29.86 -70.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.863 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 27.5 mtm180 -28.13 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -131.49 -49.26 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.956 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -172.79 -97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.458 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -164.77 142.07 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.978 ' HB2' HG23 ' A' ' 19' ' ' ILE . 72.6 mmm -95.05 -65.2 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.082 ' CB ' HG22 ' A' ' 18' ' ' THR . 3.2 m-20 -156.03 -122.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.009 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -170.4 109.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.647 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -112.44 166.6 11.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.273 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 1.2 p -58.63 -161.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 49' ' ' THR . 29.5 p-10 167.63 39.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.93 18.28 46.62 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 2.2 tttp -141.12 -109.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.765 ' C ' ' HA ' ' A' ' 6' ' ' PRO . 1.3 t -102.63 176.52 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.802 ' HB3' ' C ' ' A' ' 6' ' ' PRO . 20.0 p -124.74 72.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.829 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 19.4 p-10 -138.85 53.21 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.382 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER 81.26 29.92 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.965 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.1 Cg_endo -75.11 62.89 6.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.647 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -177.63 58.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.112 ' ND2' ' H ' ' A' ' 48' ' ' ALA . 1.7 p-10 -132.65 55.3 16.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.584 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.07 54.51 3.7 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.551 1.817 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.128 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -111.98 -142.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.671 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.063 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -13.48 -67.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.069 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -167.75 19.51 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.069 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 18.4 Cg_endo -75.04 -157.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.112 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 125.2 123.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.219 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.693 ' CB ' ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.923 ' H2 ' ' H ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 8.2 t -28.34 -55.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -168.62 71.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.6 t -179.63 -35.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.923 ' H ' ' H2 ' ' A' ' 1' ' ' GLU . . . -139.53 163.28 26.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.785 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 177.07 9.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.344 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 88.73 67.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.336 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.02 ' HA ' ' HA ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 172.84 145.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 108.283 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.719 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -95.25 -0.68 52.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 8.5 p-10 176.34 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 4.9 t 158.69 80.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.259 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.683 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 0.0 OUTLIER 170.5 -28.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.02 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 3.4 t80 71.92 126.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.843 ' HB3' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -84.66 -82.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.663 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.4 pttt -174.54 106.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.663 ' C ' ' O ' ' A' ' 15' ' ' LYS . 19.2 mt-10 -9.82 85.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 1.057 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 170.22 -58.78 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.057 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER 8.97 -152.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 110.412 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.474 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -177.94 99.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.425 ' HB2' ' C ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -5.4 -85.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.073 ' CA ' ' HB2' ' A' ' 27' ' ' ASP . 7.1 mttt -157.05 90.91 1.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.422 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.1 tpp85 -37.92 89.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.759 ' N ' ' CD2' ' A' ' 44' ' ' HIS . . . -75.42 -30.46 60.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.19 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.908 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 3.4 ttm180 -35.09 -56.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.46 -37.75 0.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.68 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -167.69 113.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.327 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -38.55 150.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.023 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . 27.6 mmm -106.96 -67.85 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.595 1.184 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.157 ' O ' ' O ' ' A' ' 19' ' ' ILE . 1.4 m-20 -159.7 -149.2 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.847 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.5 OUTLIER -142.25 113.12 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.036 ' CD2' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -101.46 118.24 36.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.344 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 29.5 p -42.05 106.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.843 ' ND2' ' C ' ' A' ' 49' ' ' THR . 13.7 p30 -96.3 25.78 4.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 65.13 14.33 59.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.616 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 1.2 ttpp -122.59 -48.82 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.323 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.478 ' C ' ' HA ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.41 161.94 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.658 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 1.4 p -99.33 56.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 108.375 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.629 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 72.4 m-20 -150.65 112.11 4.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.425 ' C ' ' HB2' ' A' ' 20' ' ' CYS . 3.3 t 44.61 45.37 2.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.897 ' HA ' ' HB ' ' A' ' 49' ' ' THR . 18.1 Cg_endo -75.01 -49.77 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.474 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 3.6 tpt85 -103.11 138.53 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.224 ' CG ' ' HB2' ' A' ' 47' ' ' PRO . 10.2 p-10 151.16 61.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.661 ' HD3' ' H ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.94 41.14 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.422 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -96.47 -129.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.671 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.744 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -31.45 -92.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.934 ' N ' ' HD3' ' A' ' 47' ' ' PRO . . . -133.99 24.48 3.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.224 ' HB2' ' CG ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.06 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 47' ' ' PRO . . . 96.91 122.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.897 ' HB ' ' HA ' ' A' ' 40' ' ' PRO . 1.2 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.416 ' N ' ' HB3' ' A' ' 38' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.7 -58.06 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.572 ' O ' ' CB ' ' A' ' 4' ' ' SER . 12.3 tt0 -136.62 -36.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 2.1 t 153.11 -16.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.615 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -86.15 138.38 15.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.745 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.99 161.94 37.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.787 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.464 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 17.7 m 83.37 59.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.672 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -178.04 71.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 108.314 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.651 ' HD3' HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -27.14 -53.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.445 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 4.6 p-10 -145.01 36.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 83.14 58.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.351 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -170.86 -34.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 78.34 121.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD23 HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -81.86 -79.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.695 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER 178.44 89.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.695 ' C ' ' O ' ' A' ' 15' ' ' LYS . 11.1 mt-10 0.69 76.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.565 ' O ' ' NE ' ' A' ' 41' ' ' ARG . . . -173.38 -39.38 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.217 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -41.44 135.48 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 110.429 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.298 ' CA ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -117.4 125.52 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.28 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 3.0 t -30.26 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 108.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.019 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -144.13 108.81 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.577 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -62.38 72.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.802 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -52.68 -63.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.953 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 23.2 mtm180 -14.93 -46.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.802 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -138.86 -71.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.797 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 5.3 p-10 -145.31 122.97 11.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.341 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -43.79 147.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.114 ' HB2' HG23 ' A' ' 19' ' ' ILE . 46.4 mmm -103.65 -75.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.207 ' CB ' HG22 ' A' ' 18' ' ' THR . 27.8 m-20 -148.95 -120.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.008 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER 179.24 106.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.487 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -110.31 167.39 10.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.464 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -52.12 -179.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.286 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.712 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 30.7 p-10 -176.42 30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.611 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 56.8 17.77 22.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.685 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -136.31 -73.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.327 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.706 HG22 ' H ' ' A' ' 37' ' ' CYS . 28.8 m -119.99 -178.71 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.706 ' H ' HG22 ' A' ' 36' ' ' THR . 18.7 p -144.24 81.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 1.032 ' O ' ' HB2' ' A' ' 39' ' ' CYS . 5.6 t70 154.75 57.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.28 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 140.82 -9.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 108.301 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.137 ' HA ' ' C ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -75.03 91.66 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.487 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.6 ttt180 141.59 70.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.134 ' O ' ' HB2' ' A' ' 47' ' ' PRO . 14.1 p-10 -159.08 55.05 0.74 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.597 ' C ' ' HD1' ' A' ' 44' ' ' HIS . 18.3 Cg_endo -74.94 51.63 2.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.577 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -100.96 -132.97 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.505 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.714 ' HG2' ' HA ' ' A' ' 24' ' ' ARG . 1.4 mmtp -38.71 -87.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.988 ' N ' ' CD ' ' A' ' 47' ' ' PRO . . . -118.9 7.45 13.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.414 1.071 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.134 ' HB2' ' O ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.99 -177.33 3.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.902 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 132.73 106.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 1.137 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 49.9 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.404 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.577 ' HB2' ' HA ' ' A' ' 11' ' ' CYS . 21.5 t -115.28 -57.17 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.256 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 5' ' ' GLY . 0.7 OUTLIER -122.66 22.02 9.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER 72.17 -13.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.955 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 3' ' ' GLU . . . -91.79 135.19 12.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.882 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.5 Cg_endo -74.93 167.05 27.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.405 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 86.7 m 79.47 32.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.748 ' O ' ' N ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -129.8 12.26 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.242 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.678 HH21 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 26.15 81.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.558 ' CG ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER 71.79 -62.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 21.1 t -170.76 29.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.748 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -167.36 69.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.364 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' C ' ' O ' ' A' ' 12' ' ' LYS . 2.2 t80 -17.32 121.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.717 ' HG ' HG23 ' A' ' 18' ' ' THR . 0.1 OUTLIER -82.42 -97.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.65 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -160.9 96.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.65 ' C ' ' O ' ' A' ' 15' ' ' LYS . 15.9 mt-10 -12.77 91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.893 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 162.26 -23.25 0.21 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.071 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -37.89 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.79 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.164 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -176.4 129.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.585 1.178 . . . . 0.0 109.29 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.315 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -47.91 -91.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.211 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 mtmp? -125.48 131.32 52.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.5 ' H ' ' CA ' ' A' ' 27' ' ' ASP . 7.6 tpp85 -71.46 60.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.054 ' HB1' ' CB ' ' A' ' 45' ' ' LYS . . . -30.64 -56.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.735 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 31.8 mtm180 -38.05 -24.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 22' ' ' ARG . . . -154.81 -44.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 1.005 ' O ' ' N ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -170.55 -94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.5 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -170.78 156.0 4.96 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 109.392 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.958 ' HB2' HG23 ' A' ' 19' ' ' ILE . 5.5 mmt -110.63 -46.8 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.071 ' CB ' HG22 ' A' ' 18' ' ' THR . 69.7 m-20 -163.47 -126.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.231 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.966 ' HB3' ' HA ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -175.09 99.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.34 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -98.26 155.02 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 111.032 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.405 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -47.07 -177.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 108.269 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.806 HD22 ' C ' ' A' ' 49' ' ' THR . 51.4 p-10 -170.47 30.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 50.03 18.0 1.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.687 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -132.82 -47.38 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.588 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -166.16 173.1 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.402 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' HA ' ' HG3' ' A' ' 40' ' ' PRO . 31.6 p -118.54 64.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 108.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.789 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 2.8 t70 -142.94 77.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.315 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 66.3 32.05 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.253 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.94 ' HA ' ' C ' ' A' ' 49' ' ' THR . 18.6 Cg_endo -74.86 54.05 3.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.413 1.744 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.34 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.6 ttt180 -175.82 67.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.063 ' HB3' ' H ' ' A' ' 21' ' ' LYS . 8.6 p-10 -138.98 51.12 3.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.66 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.6 Cg_endo -74.97 59.55 5.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.14 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -116.65 -138.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.054 ' CB ' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mmpt? -17.18 -66.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.158 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -155.37 4.97 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.158 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 17.9 Cg_endo -75.06 -171.48 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.779 ' CB ' ' O ' ' A' ' 47' ' ' PRO . . . 134.17 92.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.94 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 7.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.366 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 2' ' ' CYS . 28.6 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 1' ' ' GLU . 51.1 t -36.55 -55.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 108.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 4' ' ' SER . 3.1 tt0 -149.79 -33.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 7.4 t 158.52 -10.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -88.97 136.68 13.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.423 1.077 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.817 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.5 Cg_endo -74.94 162.24 37.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.417 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 67.3 m 82.44 61.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 108.266 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -179.2 85.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 108.333 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.875 ' CB ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -33.91 -33.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.544 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 5.2 p30 -154.21 -44.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 171.2 50.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 108.299 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' O ' ' O ' ' A' ' 13' ' ' PHE . 5.3 tttt -173.11 30.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.809 ' O ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER 36.73 120.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.951 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.875 HD23 ' CB ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -75.14 -117.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.823 ' HG3' HD13 ' A' ' 14' ' ' LEU . 18.8 mtmt -143.26 82.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.67 ' C ' ' O ' ' A' ' 15' ' ' LYS . 9.1 mt-10 -9.88 87.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.754 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 161.2 -13.46 0.15 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.436 1.085 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.124 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -45.58 -156.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.418 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.14 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 173.57 113.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.236 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.5 t -22.01 -90.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 108.227 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.933 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 53.5 mttt -144.07 97.39 3.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.542 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.9 tpp85 -48.75 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.062 ' HB3' ' HD3' ' A' ' 47' ' ' PRO . . . -76.79 -71.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 1.035 ' HA ' ' CG ' ' A' ' 45' ' ' LYS . 5.9 ptp180 -13.64 -42.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.915 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -131.7 -82.25 0.23 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.82 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -143.6 115.74 8.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.382 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -40.1 147.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.057 ' HB2' HG23 ' A' ' 19' ' ' ILE . 5.7 mmt -109.42 -90.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.124 ' CB ' HG22 ' A' ' 18' ' ' THR . 18.7 m-20 -130.03 -120.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.038 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 1.3 p30 -179.79 102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.685 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -104.71 169.04 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 111.078 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.417 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -56.57 -178.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 108.301 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.682 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 38.0 p-10 -165.9 28.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 59.17 13.64 21.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.43 1.081 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.749 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 8.5 tttt -132.82 -60.71 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.593 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 7.1 t -144.32 -179.93 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.64 ' HA ' ' HG3' ' A' ' 40' ' ' PRO . 29.6 p -132.35 63.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 108.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.827 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 10.1 p-10 -141.89 58.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.236 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 90.18 25.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 108.295 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.0 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -74.9 67.66 5.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.685 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 2.9 ttm-85 172.71 48.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.273 ' O ' ' HB2' ' A' ' 47' ' ' PRO . 19.3 p-10 -132.02 48.48 3.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.71 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.03 58.83 5.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.542 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -99.39 -142.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.035 ' CG ' ' HA ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.1 47.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.595 ' N ' ' CD ' ' A' ' 47' ' ' PRO . . . 163.82 -45.02 0.32 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.273 ' HB2' ' O ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -74.92 -173.88 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.835 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 138.11 90.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.87 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 18.1 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.431 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 1' ' ' GLU . 25.8 t 37.13 -95.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 108.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.745 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -129.29 -3.44 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.745 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 15.7 t 132.52 33.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.926 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 37' ' ' CYS . . . -128.74 126.75 5.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.768 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 164.25 33.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.401 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 50.1 m 85.72 65.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.369 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.629 ' HB2' ' H ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER 171.61 144.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 108.329 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.751 ' CG ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -80.54 -17.77 50.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.556 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 13.4 p-10 -162.15 -38.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.556 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 8.5 t 173.57 40.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.431 1.082 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.731 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -164.53 71.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.731 ' O ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -4.71 127.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.928 HD13 ' OG1' ' A' ' 18' ' ' THR . 0.0 OUTLIER -84.22 -97.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.691 ' O ' ' C ' ' A' ' 16' ' ' GLU . 3.0 ptmt -164.35 83.99 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.691 ' C ' ' O ' ' A' ' 15' ' ' LYS . 32.5 mt-10 -4.87 116.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.475 ' H ' ' HB2' ' A' ' 31' ' ' TYR . . . 124.1 5.25 7.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.287 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -84.13 92.49 7.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.433 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.362 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -65.49 136.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.316 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -45.65 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.334 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.976 ' H ' ' CB ' ' A' ' 42' ' ' ASN . 2.6 mtpt -138.19 118.01 13.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.418 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -64.59 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.054 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -36.97 -57.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 1.103 HH21 ' CD2' ' A' ' 44' ' ' HIS . 11.6 mtm180 -31.03 -29.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.399 1.062 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -144.74 -58.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.566 1.166 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 1.228 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 20.8 t70 -171.48 129.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.162 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -37.48 149.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.007 ' HG2' ' HB2' ' A' ' 22' ' ' ARG . 83.3 mmm -114.41 -74.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.091 ' CB ' HG22 ' A' ' 18' ' ' THR . 8.2 m-20 -142.38 -136.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.902 ' HB3' ' HA ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -158.63 107.24 1.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.287 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -103.79 124.98 49.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.401 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -34.76 146.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.78 HD22 ' C ' ' A' ' 49' ' ' THR . 57.2 p30 -129.68 32.49 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.38 19.41 6.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.702 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -136.43 -53.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.68 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 17.6 p -157.26 158.24 35.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 1.8 p -106.67 71.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 108.353 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.532 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 35.7 t70 -143.37 64.51 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.316 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 74.49 39.49 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 108.294 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.998 ' HA ' ' CB ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -75.07 51.29 2.77 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.362 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 47.3 ttt85 -175.21 70.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.103 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 7.8 p-10 -142.55 48.77 1.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.709 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.96 53.99 3.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.418 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -113.73 -135.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.561 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.054 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -20.52 -74.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.02 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -145.28 6.48 1.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.103 ' HB2' ' CB ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.06 -167.02 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.986 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 129.92 93.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.998 ' CB ' ' HA ' ' A' ' 40' ' ' PRO . 53.1 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.751 ' H2 ' ' N ' ' A' ' 5' ' ' GLY . 65.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 3' ' ' GLU . 1.7 m 66.0 -57.03 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 1' ' ' GLU . 38.2 mt-10 -159.96 47.24 0.26 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.6 ' C ' ' H2 ' ' A' ' 1' ' ' GLU . 2.4 t 155.31 76.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.905 ' O ' ' HB3' ' A' ' 37' ' ' CYS . . . 146.01 106.93 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.931 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.2 Cg_endo -75.04 141.74 26.89 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.309 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 67.6 m 106.23 57.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.782 ' O ' ' N ' ' A' ' 10' ' ' ASN . 3.1 p 178.14 48.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 108.298 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -1.5 -62.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.782 ' N ' ' O ' ' A' ' 8' ' ' CYS . 1.7 p-10 -135.04 42.66 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.724 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 79.23 34.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 108.265 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -145.4 -38.99 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.705 ' N ' ' HA ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER 80.78 127.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.638 ' HB2' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -90.74 -79.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.237 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.656 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER 179.46 84.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.754 ' HA ' ' HD2' ' A' ' 31' ' ' TYR . 33.4 mt-10 11.86 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.65 ' HA2' ' HD3' ' A' ' 41' ' ' ARG . . . 166.19 64.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.219 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -121.32 -17.87 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 110.445 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.072 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 41.73 125.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.117 ' O ' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -47.13 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.287 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.995 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 7.1 mtmp? -141.25 103.59 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.55 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.3 tpp85 -56.48 91.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.748 ' HB3' ' HG3' ' A' ' 47' ' ' PRO . . . -78.16 -27.17 48.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.931 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . 3.9 mtm180 -41.68 -47.0 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 110.237 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.34 -41.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.847 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -164.44 114.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.361 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -42.48 153.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.042 ' HB2' HG23 ' A' ' 19' ' ' ILE . 50.9 mmm -109.94 -93.18 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.219 ' CB ' HG22 ' A' ' 18' ' ' THR . 80.2 m-20 -132.04 -114.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.119 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -179.64 107.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.63 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -110.3 -179.36 3.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.309 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 17.2 p -89.94 116.88 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 108.266 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.757 ' CB ' ' HB2' ' A' ' 40' ' ' PRO . 30.8 p-10 -98.11 20.16 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.706 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 81.63 2.8 90.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.397 1.061 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.807 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -113.98 -60.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.299 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.748 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 1.7 m -139.18 -179.26 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.442 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.905 ' HB3' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -128.48 39.05 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 108.338 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 21.9 m-20 -98.03 -50.21 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.119 ' HA ' ' CB ' ' A' ' 30' ' ' ASP . 16.7 p -176.37 34.24 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.243 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.095 ' HD3' ' H ' ' A' ' 39' ' ' CYS . 18.1 Cg_endo -75.1 90.57 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.63 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.6 ttm-85 168.18 27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.071 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 3.9 p-10 -114.38 52.69 0.64 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.882 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.06 50.22 2.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.768 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.55 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -96.08 -136.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.561 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 24' ' ' ARG . 6.1 mmtt -28.76 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.005 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -147.18 21.93 1.57 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.071 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.0 -147.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.519 1.8 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.855 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 106.2 126.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.06 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.899 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 1.1 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 1' ' ' GLU . 14.4 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 10' ' ' ASN . 62.8 m -102.0 30.73 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 108.309 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 2.0 mt-10 77.88 65.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.34 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.6 t -166.79 34.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.681 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . 53.67 177.98 0.1 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.98 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -75.06 176.27 10.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.301 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 1.3 m 77.75 37.0 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.784 ' O ' ' N ' ' A' ' 11' ' ' CYS . 10.9 p -158.13 36.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.781 ' HB2' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER 3.24 109.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.814 ' OD1' ' N ' ' A' ' 11' ' ' CYS . 1.8 p30 63.81 -44.32 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.814 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 3.7 p 153.25 46.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 108.248 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.679 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -151.46 -34.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.715 ' CA ' ' HA ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 88.22 119.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 1.1 tm? -93.7 -62.97 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.723 ' HB3' ' O ' ' A' ' 14' ' ' LEU . 4.4 ptmt 164.95 100.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.682 ' C ' ' O ' ' A' ' 15' ' ' LYS . 15.2 mt-10 -0.86 83.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.727 ' HA2' ' CD ' ' A' ' 41' ' ' ARG . . . 133.54 101.2 0.74 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.539 1.15 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.1 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -169.82 86.07 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 0.758 . . . . 0.0 110.373 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.302 HG13 ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -33.47 172.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.442 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 28.0 t -120.41 -8.28 9.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.712 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -147.73 -90.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.021 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 137.04 81.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.945 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -106.68 -125.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 1.206 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . 0.1 OUTLIER 17.23 -81.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.703 ' O ' ' NH2' ' A' ' 22' ' ' ARG . . . -175.1 -23.52 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.166 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.791 ' HA ' HH21 ' A' ' 22' ' ' ARG . 0.1 OUTLIER -113.02 110.15 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.973 ' HB3' ' NE ' ' A' ' 22' ' ' ARG . 1.8 p-10 -115.8 -177.97 3.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.143 ' H ' ' CG2' ' A' ' 19' ' ' ILE . 2.4 mmt -144.51 -107.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.954 ' O ' ' O ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -146.16 -89.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.1 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -154.93 106.85 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.494 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -114.93 177.27 4.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 110.951 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.301 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -61.03 -141.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 108.236 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.761 ' HB2' ' O ' ' A' ' 32' ' ' CYS . 47.7 t30 148.92 16.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.58 ' N ' ' HG2' ' A' ' 6' ' ' PRO . . . 64.34 -15.6 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.58 1.175 . . . . 0.0 111.086 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.98 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -95.64 -67.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.776 ' O ' ' CG ' ' A' ' 40' ' ' PRO . 21.0 p -155.45 149.53 25.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.915 ' N ' ' HA ' ' A' ' 6' ' ' PRO . 28.4 p -84.97 52.3 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 108.316 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.98 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.5 t0 -97.46 5.47 49.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.442 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 13.4 p 95.74 30.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.149 ' HD2' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.97 68.65 5.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.494 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -140.38 37.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.342 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.163 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -111.79 57.09 0.45 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.404 1.065 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.879 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.0 16.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.302 ' CE1' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -66.46 -147.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 1.134 . . . . 0.0 109.547 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.025 ' H ' ' N ' ' A' ' 24' ' ' ARG . 17.1 mtmm -18.38 -62.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.066 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . 175.1 36.54 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.163 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.6 Cg_endo -74.84 -103.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.785 ' N ' ' ND2' ' A' ' 42' ' ' ASN . . . 74.57 143.74 0.07 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.746 HG21 ' SG ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.727 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.727 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 45.8 t 113.29 40.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.236 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 12.2 tp10 172.82 -21.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 2.0 t 157.58 -13.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 1' ' ' GLU . . . -82.49 150.23 28.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.061 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.4 Cg_endo -74.98 156.9 43.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.443 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 1.1 m 88.54 63.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.35 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 172.23 99.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.294 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.068 ' HD2' HG21 ' A' ' 18' ' ' THR . 0.6 OUTLIER -55.66 -10.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.735 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 7.7 p-10 177.64 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.735 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 5.3 t 165.39 38.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 108.23 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 26.4 mmtt -149.8 -35.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.618 ' CA ' ' HA ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 65.94 154.96 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.979 HD13 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -110.35 -100.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.979 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -165.47 78.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.38 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.851 ' HA ' ' HD2' ' A' ' 31' ' ' TYR . 47.4 mt-10 19.35 106.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.592 ' O ' HG22 ' A' ' 19' ' ' ILE . . . 135.07 4.15 2.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.422 1.076 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.127 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -67.94 -13.75 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.417 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.123 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 32.62 142.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.129 ' HB3' ' CG ' ' A' ' 42' ' ' ASN . 1.6 t -68.34 -93.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 108.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.218 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 4.5 mtpm? -115.06 127.62 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.54 ' H ' ' CA ' ' A' ' 27' ' ' ASP . 6.1 tpp85 -66.4 59.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.061 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . . . -36.22 -46.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.857 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 21.4 mtm180 -49.24 -15.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 22' ' ' ARG . . . -160.5 -41.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.16 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.944 ' N ' ' O ' ' A' ' 22' ' ' ARG . 15.7 t70 -170.69 -104.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.54 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -163.3 147.05 10.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.996 ' HB2' HG23 ' A' ' 19' ' ' ILE . 73.2 mmm -100.9 -69.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.127 ' CB ' HG22 ' A' ' 18' ' ' THR . 61.1 m-20 -153.38 -125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.208 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.055 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -164.74 115.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.643 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -117.81 179.81 3.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.443 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 24.5 p -84.28 114.05 21.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 108.275 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.791 ' HB3' ' O ' ' A' ' 40' ' ' PRO . 52.1 p-10 -89.97 15.74 9.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.716 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 73.81 9.78 79.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.983 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -129.65 -44.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.383 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.734 ' C ' ' HA ' ' A' ' 6' ' ' PRO . 4.8 m -157.36 174.57 15.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.564 ' N ' HG22 ' A' ' 36' ' ' THR . 17.7 p -128.44 103.54 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 1.065 ' H ' ' HD3' ' A' ' 40' ' ' PRO . 0.3 OUTLIER 179.05 39.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.02 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 0.8 OUTLIER 98.6 19.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.329 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.065 ' HD3' ' H ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.98 69.81 5.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.643 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -173.61 29.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.329 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 3.2 p-10 -108.95 60.44 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.913 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.96 52.64 3.09 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.532 1.807 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.167 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -113.23 -150.47 0.47 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.04 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 6.3 mmtt -6.62 -73.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.021 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -175.07 34.51 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.586 1.179 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.329 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.07 -105.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.619 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 76.08 126.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.911 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' CYS . 12.7 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.7 t -100.26 -53.51 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 4' ' ' SER . 6.5 tp10 -122.43 -35.65 3.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 1.2 t 152.07 -11.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.557 1.161 . . . . 0.0 110.037 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.507 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -98.98 146.03 17.95 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.027 ' HB2' ' CB ' ' A' ' 32' ' ' CYS . 18.4 Cg_endo -75.04 -172.27 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.437 1.756 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.38 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 1.3 m 74.48 36.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' O ' ' N ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -165.23 73.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.331 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.727 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -21.73 -41.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.7 p30 -141.9 -46.05 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 109.213 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.525 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 6.6 t 179.42 38.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 108.238 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -167.66 66.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.666 ' C ' ' O ' ' A' ' 12' ' ' LYS . 2.2 t80 -4.72 116.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.781 ' HG ' HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER -69.97 -75.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.667 ' O ' ' C ' ' A' ' 16' ' ' GLU . 5.7 ptmt 170.03 96.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.667 ' C ' ' O ' ' A' ' 15' ' ' LYS . 18.5 mt-10 -10.05 86.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.687 ' HA2' ' CD ' ' A' ' 41' ' ' ARG . . . 144.59 62.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.261 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -140.06 93.91 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 110.364 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.153 ' CG2' ' H ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -48.16 170.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.026 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 11.8 t -117.57 -32.03 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 108.298 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.026 ' HG2' ' O ' ' A' ' 20' ' ' CYS . 27.7 mmtt -160.39 107.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.23 ' NH2' ' H ' ' A' ' 27' ' ' ASP . 10.4 tpp85 -50.21 92.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.093 ' HB2' ' CG ' ' A' ' 47' ' ' PRO . . . -77.45 -128.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 1.441 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -36.98 -58.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.364 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.671 ' O ' ' CB ' ' A' ' 26' ' ' ASP . . . 169.37 110.64 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.959 ' H ' ' NE ' ' A' ' 22' ' ' ARG . 2.0 t70 140.45 67.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.23 ' H ' ' NH2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -103.07 165.38 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.153 ' H ' ' CG2' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -137.45 -63.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.983 ' O ' ' O ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER 180.0 -92.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.261 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -158.07 105.43 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.36 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.97 170.15 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.38 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -60.94 -152.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 108.298 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.872 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 7.7 p-10 151.41 39.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.363 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.614 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 26.29 73.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.577 1.173 . . . . 0.0 111.061 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.778 ' H ' ' HG3' ' A' ' 6' ' ' PRO . 52.7 tttt 174.35 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.665 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 0.8 OUTLIER 169.25 143.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.803 ' CA ' ' HA ' ' A' ' 6' ' ' PRO . 11.1 p -92.25 82.09 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.268 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 1.021 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 57.3 t0 -124.76 9.84 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.021 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 14.3 p 95.44 32.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.342 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.225 ' HD2' ' O ' ' A' ' 31' ' ' TYR . 18.1 Cg_endo -75.03 70.26 5.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.36 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -145.17 36.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.267 ' ND2' ' HB2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -115.68 64.76 2.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.722 ' HD2' ' CE1' ' A' ' 44' ' ' HIS . 18.3 Cg_endo -74.93 27.57 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.162 ' CB ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -90.37 -153.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.639 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.441 ' HG3' ' N ' ' A' ' 24' ' ' ARG . 12.0 mtmt -1.05 -76.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.06 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . 175.86 38.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.267 ' HB2' ' ND2' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 -92.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.659 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 69.77 132.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 1.058 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 14.9 m . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.557 ' N ' ' HA3' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.576 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER 161.74 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 108.298 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.659 ' O ' ' CB ' ' A' ' 4' ' ' SER . 5.7 tp10 -158.38 63.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 4.4 t 101.15 54.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.733 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -167.82 139.12 5.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.971 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -75.01 162.31 37.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.386 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 83.07 50.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.288 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.898 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 176.82 65.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.306 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.634 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -16.35 -50.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.68 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.1 p-10 -132.44 -42.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 18.7 t 177.88 44.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.601 ' O ' ' C ' ' A' ' 13' ' ' PHE . 14.0 ptpt -168.94 78.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.601 ' C ' ' O ' ' A' ' 12' ' ' LYS . 4.5 t80 -18.17 131.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.681 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -81.8 -112.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' H ' HD23 ' A' ' 14' ' ' LEU . 15.0 pttm -153.29 53.4 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' LYS . 47.0 mt-10 31.29 89.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.596 ' H ' ' HB2' ' A' ' 31' ' ' TYR . . . 138.45 61.75 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.002 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -142.58 72.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.361 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.245 ' HB ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -43.63 152.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 26.7 t -79.98 -54.71 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 108.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.23 ' C ' HD11 ' A' ' 19' ' ' ILE . 47.8 mmtt -132.63 154.0 50.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.182 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 4.0 tpp85 -88.05 99.69 12.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.229 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.089 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -83.05 -113.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 1.488 ' CA ' ' HG2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -48.8 -55.25 12.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 110.237 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.684 ' O ' ' CB ' ' A' ' 26' ' ' ASP . . . 168.59 109.86 0.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.429 1.08 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 1.113 ' H ' ' NE ' ' A' ' 22' ' ' ARG . 2.9 t70 139.49 61.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.182 ' CB ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -91.68 164.69 13.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.188 ' N ' HG23 ' A' ' 19' ' ' ILE . 7.2 mmt -147.56 -92.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.894 ' HB2' HG22 ' A' ' 18' ' ' THR . 0.3 OUTLIER -157.02 -87.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.002 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -157.47 119.72 3.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.372 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -122.04 178.35 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.386 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 15.0 p -94.41 106.56 18.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 1.275 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -92.19 12.05 23.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.885 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 83.45 -13.11 48.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.971 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 4.6 tptt -95.74 -57.91 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.828 ' O ' ' CG ' ' A' ' 40' ' ' PRO . 12.6 p -158.14 162.38 37.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.747 ' HB2' ' C ' ' A' ' 8' ' ' CYS . 28.0 p -97.33 49.24 1.05 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.55 1.156 . . . . 0.0 108.278 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.944 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -99.58 7.13 45.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 11.6 p 96.46 30.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 108.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.115 ' HB3' ' C ' ' A' ' 49' ' ' THR . 18.5 Cg_endo -74.93 67.9 5.79 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.372 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -141.71 35.61 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.093 HD21 ' HB2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -107.93 61.24 0.23 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.92 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.97 24.63 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.556 1.819 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.088 ' CB ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -79.47 -146.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.621 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.488 ' HG2' ' CA ' ' A' ' 24' ' ' ARG . 9.7 mmtt -16.78 -67.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.027 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . 174.33 38.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.14 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.093 ' HB2' HD21 ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.0 -97.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.614 ' N ' ' ND2' ' A' ' 42' ' ' ASN . . . 78.48 136.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 1.115 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.405 1.066 . . . . 0.0 110.454 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.768 ' H3 ' HG23 ' A' ' 36' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.569 ' N ' ' HG3' ' A' ' 1' ' ' GLU . 0.1 OUTLIER -33.57 -59.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 108.317 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' H ' ' HG3' ' A' ' 1' ' ' GLU . 1.1 tt0 -105.8 -40.94 5.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 4.7 t 163.43 -23.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.073 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.712 ' N ' ' HG2' ' A' ' 1' ' ' GLU . . . -58.05 119.53 17.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.093 ' C ' ' HB3' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.02 168.64 24.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.432 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 71.7 m 107.13 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 108.292 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 1.37 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -69.1 148.53 49.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 108.353 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.834 HH21 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -98.97 2.75 46.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.641 ' ND2' ' HD3' ' A' ' 9' ' ' ARG . 16.8 p30 -178.07 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.609 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -179.41 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.68 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 4.5 ptmt -123.09 138.37 54.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.731 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 3.8 t80 -50.65 141.08 13.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.834 ' HA ' HH21 ' A' ' 9' ' ' ARG . 1.3 tm? -98.5 -77.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.671 ' HA ' ' CZ ' ' A' ' 13' ' ' PHE . 6.4 tttp 175.19 104.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.608 ' C ' ' O ' ' A' ' 15' ' ' LYS . 27.9 mt-10 -19.78 132.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.322 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' HA2' ' NE ' ' A' ' 41' ' ' ARG . . . 98.85 18.49 24.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.126 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -76.16 -17.39 59.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.759 . . . . 0.0 110.336 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.258 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 36.46 136.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.199 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -49.45 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.931 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 6.2 mttm -139.67 91.2 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.61 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -38.58 86.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.784 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -70.62 -73.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 1.067 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 4.6 ptp180 -25.62 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.784 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -133.63 -112.11 1.29 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.866 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -114.66 108.02 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.734 . . . . 0.0 109.374 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.256 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -37.6 146.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.09 ' HB2' HD13 ' A' ' 19' ' ' ILE . 81.0 mmm -106.76 -101.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.126 ' CB ' HG22 ' A' ' 18' ' ' THR . 69.4 m-20 -133.17 -113.14 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.039 ' C ' ' HB ' ' A' ' 18' ' ' THR . 7.3 p30 -166.46 119.28 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.456 ' CD2' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -110.93 143.15 42.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.432 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 2.1 p -52.15 128.44 24.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.943 HD22 ' C ' ' A' ' 49' ' ' THR . 43.9 p30 -107.2 21.71 17.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 64.42 22.86 67.97 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.699 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -145.34 -47.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.825 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 89.1 m -155.48 162.15 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.37 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -113.73 70.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.239 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.727 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 23.1 p-10 -143.18 66.94 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.199 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 70.77 33.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.925 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.07 54.54 3.71 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.762 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.456 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 12.6 ttt85 -176.07 61.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.987 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 4.9 p-10 -133.02 52.19 8.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.98 36.87 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.61 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -92.25 -134.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.067 ' HG2' ' N ' ' A' ' 24' ' ' ARG . 4.7 mmmt -21.89 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.112 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -140.1 11.27 3.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.112 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -74.99 -164.55 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.802 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.827 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 129.52 94.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.943 ' C ' HD22 ' A' ' 33' ' ' ASN . 3.7 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.432 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 38' ' ' ASP . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 16.0 t -108.1 -64.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.237 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' A' ' 4' ' ' SER . 0.5 OUTLIER -129.44 31.64 4.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.572 ' HB3' ' O ' ' A' ' 3' ' ' GLU . 24.4 t 73.25 0.13 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.608 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -97.41 141.08 15.41 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.965 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.01 170.36 20.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.476 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 50.6 m 79.2 42.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.295 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.834 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -159.32 61.72 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 108.312 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.615 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.9 ptt180 -18.15 -56.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.718 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 6.8 p-10 -137.09 9.14 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.718 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 35.4 t 110.95 70.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 108.296 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER 171.58 -26.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.628 ' CE2' ' HB3' ' A' ' 7' ' ' CYS . 0.5 OUTLIER 83.16 123.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.906 HD12 HG23 ' A' ' 18' ' ' THR . 3.2 tm? -85.35 -70.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.62 ' O ' ' N ' ' A' ' 17' ' ' GLY . 2.1 tttt 171.75 105.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 15' ' ' LYS . 2.8 mt-10 -25.31 87.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.801 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 165.68 -23.76 0.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.116 ' O ' ' HG2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -40.33 -169.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.435 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.162 ' CA ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -171.34 123.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.266 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 1.4 t -37.55 -87.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.155 . . . . 0.0 108.348 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.104 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -137.51 129.03 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.463 ' H ' ' CA ' ' A' ' 27' ' ' ASP . 12.0 tpp85 -69.02 63.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.081 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -39.06 -71.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.996 ' H ' ' HB2' ' A' ' 44' ' ' HIS . 5.7 ptp180 -36.67 -22.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -140.99 -94.22 0.23 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 1.141 ' C ' ' HB3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -149.88 112.77 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.463 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -23.28 140.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.971 ' HB2' HG23 ' A' ' 19' ' ' ILE . 22.7 mmm -106.13 -62.6 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.048 ' CB ' HG22 ' A' ' 18' ' ' THR . 4.4 m-20 -147.46 -131.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.009 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 2.4 p-10 -173.29 102.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.407 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -100.85 162.45 12.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.476 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -54.78 -151.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.222 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.828 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 17.4 p-10 154.11 39.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.676 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . . . 28.32 65.99 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.904 ' H ' ' HG3' ' A' ' 6' ' ' PRO . 5.6 mttp 178.72 -33.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 0.722 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.615 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 9.7 t -177.86 165.0 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.742 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 26.8 p -127.09 60.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 1.0 ' O ' HG21 ' A' ' 49' ' ' THR . 2.0 t0 -137.87 67.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.266 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER 72.14 32.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.958 ' HG2' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.01 55.37 3.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.407 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -171.43 74.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.217 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 2.1 p-10 -151.26 59.39 3.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.09 47.02 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.398 ' ND1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -104.3 -146.93 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.62 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.081 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 1.3 mmpt? -14.74 -82.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.913 ' N ' ' HD3' ' A' ' 47' ' ' PRO . . . -150.43 27.87 1.08 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.217 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.96 -154.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.782 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.081 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 114.7 123.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 1.0 HG21 ' O ' ' A' ' 38' ' ' ASP . 1.1 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.442 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLU . 0.8 OUTLIER -39.84 -46.93 2.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.628 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -179.85 48.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.68 ' O ' ' HA ' ' A' ' 36' ' ' THR . 2.5 t 95.96 -66.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.621 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -37.57 123.55 1.11 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.992 ' HA ' ' HB3' ' A' ' 37' ' ' CYS . 18.5 Cg_endo -74.92 170.66 19.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.415 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.3 m 76.94 63.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.33 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.621 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -154.14 -41.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.311 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.621 ' H ' ' HB2' ' A' ' 37' ' ' CYS . 0.0 OUTLIER 73.65 -48.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.544 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 1.7 p-10 -158.72 23.75 0.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 2.5 t 86.61 66.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 108.404 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.0 mtpt 167.39 -23.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.59 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 81.35 123.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.572 ' HG ' HG21 ' A' ' 18' ' ' THR . 0.4 OUTLIER -85.46 -60.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 161.07 107.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.585 ' C ' ' O ' ' A' ' 15' ' ' LYS . 32.7 mt-10 -22.06 84.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.677 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . 148.57 60.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.089 HG22 ' HB2' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -134.86 62.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.375 HG13 ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.34 150.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.314 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -64.74 -74.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.245 ' O ' HD11 ' A' ' 19' ' ' ILE . 3.7 mmtm -124.11 157.91 33.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.226 HH11 ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -84.85 95.84 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.056 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . . . -88.87 -59.81 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.957 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 13.2 mtm180 -49.32 -63.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 1.226 ' N ' HH11 ' A' ' 22' ' ' ARG . . . -170.45 -46.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 1.192 ' O ' ' NH2' ' A' ' 22' ' ' ARG . 11.7 t0 -121.41 120.47 35.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.087 ' CB ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -97.68 -175.04 3.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.933 ' CG ' HG22 ' A' ' 19' ' ' ILE . 15.5 mmt -122.69 -72.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.089 ' HB2' HG22 ' A' ' 18' ' ' THR . 1.2 m-20 -175.73 -94.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 109.372 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.821 ' CB ' ' N ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -171.09 104.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.55 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -114.55 -173.89 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.415 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -62.51 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 108.363 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.782 ' ND2' ' C ' ' A' ' 49' ' ' THR . 24.1 p-10 159.92 23.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.637 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 65.29 1.41 7.45 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.958 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -126.02 -78.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.816 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 55.6 m -118.43 174.13 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.992 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 29.1 p -140.45 84.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 1.18 ' H ' ' CD ' ' A' ' 40' ' ' PRO . 10.0 t70 173.62 52.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.314 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER 119.16 -0.57 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 108.278 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.18 ' CD ' ' H ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.95 84.47 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.55 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER 163.48 33.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.091 ' HA ' HG13 ' A' ' 19' ' ' ILE . 7.6 p-10 -109.82 44.88 0.2 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.968 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.93 48.73 2.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.465 1.771 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.375 ' CE1' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -98.75 -135.13 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.58 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.964 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 1.9 mmtm -21.22 -59.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.268 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -164.6 5.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.268 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -75.06 -175.19 2.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.068 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 142.11 110.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.828 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 1.9 m . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.375 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.914 ' H2 ' ' CA ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.545 ' C ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER -31.54 93.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.223 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 1' ' ' GLU . 0.2 OUTLIER 31.21 58.22 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' A' ' 4' ' ' SER . 3.1 t 168.3 47.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.914 ' CA ' ' H2 ' ' A' ' 1' ' ' GLU . . . 149.55 143.2 3.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.898 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.06 162.27 37.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.259 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 82.43 64.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 108.282 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.674 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 0.4 OUTLIER 171.61 104.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.247 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.092 ' HD2' HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER -64.89 -17.88 64.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.155 . . . . 0.0 110.241 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 25.0 p-10 172.05 37.25 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 5.4 m 88.38 67.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 5.0 tptt 179.46 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 15' ' ' LYS . 7.0 t80 61.57 145.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -104.93 -78.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER 169.71 86.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.654 ' C ' ' O ' ' A' ' 15' ' ' LYS . 43.4 mt-10 13.42 106.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.326 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.989 ' H ' ' HB2' ' A' ' 31' ' ' TYR . . . 130.92 23.42 0.95 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.562 1.163 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.29 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -89.81 -6.78 55.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 0.0 110.452 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.228 ' CA ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 35.74 146.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.296 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -66.54 -89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.021 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 5.2 mttm -129.52 112.2 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.401 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 11.1 tpp85 -54.84 65.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.947 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -44.1 -52.41 7.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.997 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 18.5 mtm180 -37.18 -29.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -142.56 -38.66 0.07 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 1.052 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -174.63 -108.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.369 0.688 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.39 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -164.49 141.86 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.922 ' HB2' HG23 ' A' ' 19' ' ' ILE . 10.0 mmt -99.72 -70.51 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.29 ' CB ' HG22 ' A' ' 18' ' ' THR . 6.3 m-20 -158.56 -133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.973 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.7 OUTLIER -150.23 126.43 10.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.527 ' CD2' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -115.41 142.67 46.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.259 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 23.7 p -67.98 94.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.368 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.816 ' HB3' ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -98.32 10.55 40.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.649 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . . . 96.05 16.76 37.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 49' ' ' THR . 18.6 tptt -95.51 -101.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.673 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 13.7 t -148.33 18.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.714 ' N ' ' HA ' ' A' ' 6' ' ' PRO . 8.6 p 61.94 51.87 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.749 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 7.3 t70 -127.86 50.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.296 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER 79.14 34.16 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.332 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.927 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -74.99 60.3 5.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.555 1.818 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.527 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -177.67 61.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.169 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 2.2 p-10 -134.89 56.53 17.32 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.97 50.08 2.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.427 1.751 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.401 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -105.28 -138.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.947 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 8.9 mmmt -21.69 -78.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.03 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -152.92 24.56 0.81 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.497 1.123 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.169 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.04 -160.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.054 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 127.81 121.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.697 HG21 ' O ' ' A' ' 38' ' ' ASP . 1.2 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.446 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 1' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -57.99 -73.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.255 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.547 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 8.3 pt-20 157.92 52.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.3 t -178.41 54.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.6 175.05 45.23 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.007 ' HA ' ' HB3' ' A' ' 37' ' ' CYS . 18.4 Cg_endo -75.02 175.22 11.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.053 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.406 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.6 OUTLIER 83.75 43.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 108.335 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.732 ' H ' ' HB2' ' A' ' 37' ' ' CYS . 1.6 p -146.06 29.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.869 ' NH2' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -2.82 114.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.728 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 27.01 67.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.642 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.1 t 46.65 67.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 108.312 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.642 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 2.6 tttt 151.37 75.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 15' ' ' LYS . 9.9 t80 -34.0 136.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.952 HD12 HG23 ' A' ' 18' ' ' THR . 1.9 tm? -103.0 -58.19 1.91 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER 154.46 100.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.666 ' C ' ' O ' ' A' ' 15' ' ' LYS . 40.9 mt-10 -9.35 121.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.756 ' HA2' ' HD3' ' A' ' 41' ' ' ARG . . . 116.46 12.22 9.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.411 1.069 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.144 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -72.73 -11.39 60.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 110.364 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.106 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 33.89 144.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.299 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 1.0 OUTLIER -64.14 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.043 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 11.1 mtmt -130.85 112.01 12.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 1.456 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 7.2 tpp85 -55.02 64.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 110.365 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.938 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -42.32 -59.9 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.993 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 49.3 mtm180 -30.3 -33.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.602 1.189 . . . . 0.0 110.31 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -136.35 -41.37 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 1.066 ' N ' ' O ' ' A' ' 22' ' ' ARG . 22.9 t70 -172.35 -111.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 1.358 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -160.89 142.05 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.007 ' HB2' HG23 ' A' ' 19' ' ' ILE . 6.8 mmm -95.6 -77.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.144 ' CB ' HG22 ' A' ' 18' ' ' THR . 8.2 m-20 -151.07 -119.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 1.011 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -170.67 110.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.355 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 1.618 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.42 152.66 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.178 . . . . 0.0 110.995 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.406 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -40.11 -98.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.383 1.052 . . . . 0.0 108.243 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 1.036 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER 100.38 -27.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.347 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.763 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 115.51 19.89 5.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.878 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -110.67 -81.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.579 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 45.4 p -146.12 -26.64 0.43 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.606 1.191 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.007 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER 94.44 31.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.346 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.881 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 58.9 t0 -113.82 58.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.621 1.201 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.299 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 83.5 25.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.016 ' HG2' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.02 62.94 5.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.618 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 6.1 ttm-85 -178.09 47.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 1.084 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 2.0 p-10 -120.58 54.5 3.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.748 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.98 50.68 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.442 1.759 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 1.456 ' CE1' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -103.88 -138.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.938 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -22.19 -73.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.096 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -155.4 20.4 0.54 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.096 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.1 Cg_endo -74.99 -160.98 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.071 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 126.86 121.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.712 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 1.9 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.465 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.473 ' C ' ' O ' ' A' ' 1' ' ' GLU . 17.1 t -36.61 -44.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.627 ' O ' ' CB ' ' A' ' 4' ' ' SER . 5.1 pt-20 -134.66 -35.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.627 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 3.4 t 147.12 -14.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.47 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -78.61 140.55 23.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.014 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.2 Cg_endo -74.92 161.75 38.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.562 1.822 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.241 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.8 OUTLIER 78.7 54.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 108.268 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.671 ' O ' ' C ' ' A' ' 9' ' ' ARG . 17.7 p -177.36 43.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 108.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.671 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 ptt180 -9.57 -72.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -125.62 41.55 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 73.64 72.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 108.343 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 0.0 OUTLIER 172.35 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' N ' ' HA ' ' A' ' 8' ' ' CYS . 14.1 t80 62.1 138.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.637 HD12 ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -94.1 -86.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.67 ' O ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -175.78 78.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.67 ' O ' ' O ' ' A' ' 15' ' ' LYS . 32.8 mt-10 15.62 106.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.609 ' H ' ' HB2' ' A' ' 31' ' ' TYR . . . 142.18 -8.71 2.43 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.161 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -68.11 78.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.604 0.826 . . . . 0.0 110.448 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.133 HG13 ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -57.81 134.31 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.358 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.38 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -46.22 -91.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 108.41 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.025 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 8.0 mtpt -131.41 118.31 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.634 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 9.7 tpp85 -62.06 64.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.089 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -44.18 -54.96 5.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 1.012 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 46.4 mtm180 -36.25 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -143.56 -43.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 1.093 ' N ' ' O ' ' A' ' 22' ' ' ARG . 59.2 m-20 -166.7 -118.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 0.816 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.373 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -157.47 145.7 19.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.935 ' HB2' HD13 ' A' ' 19' ' ' ILE . 17.4 mmt -101.85 -88.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.161 ' CB ' HG22 ' A' ' 18' ' ' THR . 7.6 m-20 -143.94 -136.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.112 ' HB3' ' H ' ' A' ' 39' ' ' CYS . 39.0 m-20 -149.19 116.22 6.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.574 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -118.67 161.16 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.241 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 13.4 p -74.04 107.19 6.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 108.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.771 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 0.5 OUTLIER -90.14 10.71 23.36 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.36 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 87.12 13.55 65.98 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.431 1.082 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.826 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -131.02 -52.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 0.737 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.799 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 9.5 t -154.05 -177.0 6.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' HB2' ' H ' ' A' ' 8' ' ' CYS . 31.1 p -131.57 60.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.83 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 8.5 t0 -137.31 52.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.38 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 86.31 28.07 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 108.246 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.096 ' HG2' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 62.83 5.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.564 1.823 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.574 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.0 ttm-85 -177.77 54.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.189 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -132.26 55.8 19.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.95 47.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.634 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -101.23 -140.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.621 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.887 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -21.72 -77.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.03 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -151.55 24.81 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.189 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -75.03 -151.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.009 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 112.44 121.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.661 ' HB ' ' O ' ' A' ' 39' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.367 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 1' ' ' GLU . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 43.0 t -75.66 -0.09 19.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.23 60.09 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.3 t -170.74 27.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 97.67 171.32 33.04 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.496 1.123 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.861 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.98 176.02 10.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.258 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 75.85 49.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.688 ' O ' ' C ' ' A' ' 9' ' ' ARG . 29.4 p -170.94 50.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -3.91 -80.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.872 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 4.6 p30 -106.56 -34.12 7.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.872 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 5.7 t 157.13 72.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 171.95 -21.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.77 ' HB2' ' O ' ' A' ' 7' ' ' CYS . 16.0 t80 63.72 150.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -109.59 -84.44 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.686 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -175.73 93.37 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.686 ' C ' ' O ' ' A' ' 15' ' ' LYS . 32.6 mt-10 -1.12 107.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.778 ' H ' ' HB2' ' A' ' 31' ' ' TYR . . . 143.36 -7.92 2.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.04 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -70.17 84.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.793 . . . . 0.0 110.394 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.327 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -57.83 138.0 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.291 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -48.7 -89.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 108.339 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.018 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 1.4 mtmt -129.32 121.55 27.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.407 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.5 tpp85 -63.51 58.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.208 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -33.6 -65.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.958 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 27.3 mtm180 -28.27 -32.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -137.5 -45.38 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.973 ' N ' ' O ' ' A' ' 22' ' ' ARG . 26.2 t0 -168.71 -117.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 0.805 . . . . 0.0 109.376 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.333 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -150.8 146.02 26.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.148 . . . . 0.0 109.368 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.036 ' CG ' HD13 ' A' ' 19' ' ' ILE . 32.5 mmt -101.71 -84.31 0.45 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.589 1.18 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.04 ' CB ' HG22 ' A' ' 18' ' ' THR . 5.6 m-20 -148.51 -138.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.902 ' HB3' ' H ' ' A' ' 39' ' ' CYS . 14.9 m-20 -140.59 121.74 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.246 ' HD2' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -116.93 114.41 23.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.258 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 21.4 p -32.96 127.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.812 HD22 ' C ' ' A' ' 49' ' ' THR . 47.2 p30 -111.55 19.96 17.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.715 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 76.15 -6.76 33.66 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.861 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -109.45 -67.93 0.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 0.742 . . . . 0.0 109.254 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.679 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 14.6 m -146.15 161.59 39.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.57 1.169 . . . . 0.0 110.417 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.551 ' HA ' ' HG3' ' A' ' 40' ' ' PRO . 11.7 p -104.72 80.3 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 108.337 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.8 t70 -147.06 58.13 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.291 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.6 OUTLIER 77.15 39.13 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 108.296 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.033 ' HA ' ' CB ' ' A' ' 49' ' ' THR . 18.4 Cg_endo -74.97 55.28 3.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.552 1.817 . . . . 0.0 111.059 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.327 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -178.17 68.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.256 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.068 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -140.58 51.29 2.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.06 50.9 2.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.407 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -109.44 -137.46 0.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.088 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 2.5 mmpt? -18.32 -73.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.076 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -148.25 6.29 0.94 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.425 1.078 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.076 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 18.5 Cg_endo -74.99 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.848 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 135.37 94.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 1.033 ' CB ' ' HA ' ' A' ' 40' ' ' PRO . 53.8 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.072 . . . . 0.0 110.428 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.89 ' H1 ' ' HA3' ' A' ' 5' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER -35.09 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 1' ' ' GLU . 0.3 OUTLIER -169.04 37.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.364 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.68 ' C ' ' H2 ' ' A' ' 1' ' ' GLU . 1.4 t 159.19 73.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.89 ' HA3' ' H1 ' ' A' ' 1' ' ' GLU . . . 165.88 125.4 0.77 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.006 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.1 Cg_endo -75.07 145.36 31.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.428 1.752 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.419 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 46.2 m 100.23 68.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 108.308 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.597 ' HA ' ' HA ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 169.39 122.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 108.339 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.876 ' NH1' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -70.95 -4.58 25.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.521 ' CG ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -175.05 -40.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.536 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 38.5 t 178.83 35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 108.319 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -138.66 -90.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.787 ' CB ' ' O ' ' A' ' 12' ' ' LYS . 8.8 t80 138.93 130.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -92.58 -82.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.684 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -178.74 98.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.684 ' C ' ' O ' ' A' ' 15' ' ' LYS . 37.0 mt-10 -4.71 76.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.074 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . -171.38 -47.17 0.04 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.254 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -34.82 137.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 0.721 . . . . 0.0 110.435 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.239 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -116.1 120.37 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.232 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -23.0 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 108.315 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.956 ' CA ' ' HB2' ' A' ' 27' ' ' ASP . 23.9 mtpp -152.97 99.26 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.562 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 4.9 tpp85 -46.81 88.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.861 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -68.36 -81.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 1.022 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 2.7 ptp180 -15.06 -43.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.861 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -124.3 -104.34 1.58 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.946 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -122.49 113.67 19.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.355 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.393 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -39.51 146.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.078 ' HB2' HG23 ' A' ' 19' ' ' ILE . 43.3 mmm -106.04 -91.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.254 ' CB ' HG22 ' A' ' 18' ' ' THR . 41.7 m-20 -138.98 -124.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.045 ' HB3' ' HA ' ' A' ' 39' ' ' CYS . 3.9 p-10 -166.37 113.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.226 ' HB3' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -108.27 156.93 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.419 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 4.4 p -69.77 117.68 11.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.933 ' ND2' ' C ' ' A' ' 49' ' ' THR . 52.2 p-10 -99.66 30.34 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.636 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 57.74 11.58 8.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.564 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -122.79 -36.63 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.407 0.71 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.847 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 14.7 t -173.14 174.46 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.722 ' HB3' ' O ' ' A' ' 5' ' ' GLY . 12.4 p -121.47 52.65 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 108.322 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.815 ' O ' HG21 ' A' ' 49' ' ' THR . 4.4 m-20 -130.66 67.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.232 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 69.97 34.81 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 108.315 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.944 ' HG2' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.06 52.91 3.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.239 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 2.5 tpt85 -172.42 97.36 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.134 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 177.95 59.67 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.37 1.044 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.99 34.91 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.562 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -86.46 -137.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.628 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.022 ' HG2' ' HA ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -26.63 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.942 ' N ' ' HD3' ' A' ' 47' ' ' PRO . . . -141.03 25.31 2.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.134 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.0 Cg_endo -75.06 -159.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.878 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 112.06 124.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.933 ' C ' ' ND2' ' A' ' 33' ' ' ASN . 62.8 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.496 ' C ' ' O ' ' A' ' 1' ' ' GLU . 1.3 t -35.09 -71.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.4 1.063 . . . . 0.0 108.351 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -151.94 35.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 110.252 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER 87.28 36.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.956 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.599 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -127.79 130.9 6.88 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.445 1.091 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.986 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.4 Cg_endo -74.97 145.2 31.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.441 1.758 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.513 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 60.5 m 97.61 59.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 108.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.599 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER 179.84 88.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.508 1.13 . . . . 0.0 108.249 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.83 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -41.59 -25.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.465 ' CG ' ' N ' ' A' ' 11' ' ' CYS . 6.9 p30 -146.04 -46.52 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' N ' ' CG ' ' A' ' 10' ' ' ASN . 26.8 t 179.14 47.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 108.315 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 3.6 tppt? -151.02 -89.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.653 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER 168.99 98.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 110.975 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.912 HD12 ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -42.42 -100.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.529 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -173.79 29.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.722 ' H ' HD23 ' A' ' 14' ' ' LEU . 47.8 mt-10 52.69 108.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.578 ' C ' ' HD3' ' A' ' 41' ' ' ARG . . . 121.7 11.43 5.96 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.242 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -89.61 71.87 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 0.825 . . . . 0.0 110.416 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.175 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -46.59 139.5 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.043 ' HB3' ' CG ' ' A' ' 42' ' ' ASN . 1.4 t -58.73 -95.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 108.349 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.283 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 8.9 mttp -115.78 129.94 56.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.544 ' H ' ' CA ' ' A' ' 27' ' ' ASP . 8.0 tpp85 -68.16 60.08 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.177 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -32.34 -58.54 0.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.878 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 19.5 mtm180 -39.17 -25.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 22' ' ' ARG . . . -145.26 -50.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.406 1.066 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.925 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -164.54 -102.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.544 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -162.26 151.83 16.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.051 ' HB2' HG23 ' A' ' 19' ' ' ILE . 35.2 mmt -106.57 -71.18 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.242 ' CB ' HG22 ' A' ' 18' ' ' THR . 1.6 m-20 -147.15 -136.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.912 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -159.53 112.85 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.502 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -118.14 175.45 5.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.513 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 5.5 p -81.3 114.83 20.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 108.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.8 ' HB3' ' O ' ' A' ' 40' ' ' PRO . 49.0 p-10 -97.58 20.58 11.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.235 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.715 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 70.6 11.9 69.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.729 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 45.5 tttp -132.43 -47.38 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.74 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.713 ' C ' ' HG3' ' A' ' 40' ' ' PRO . 1.9 m -146.12 -179.58 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 20.5 p -138.77 54.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.853 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 8.0 t70 -140.22 49.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.985 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 0.7 OUTLIER 95.68 25.06 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.165 ' HG2' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.97 66.32 6.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.502 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -171.67 34.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.333 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -112.86 60.15 0.65 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.832 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.0 47.7 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.75 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.282 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -108.57 -151.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.084 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 60.6 mmtt -6.9 -73.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.016 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -174.09 35.27 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.333 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.93 -111.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.442 1.759 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.792 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 83.2 128.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.923 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.455 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 3.0 t -69.56 -49.47 53.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 108.236 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -167.77 -14.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 4.1 t 164.03 -23.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.581 1.176 . . . . 0.0 110.045 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.662 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -70.82 122.32 10.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.214 ' C ' ' HB3' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.04 -30.11 7.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.273 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 61.9 m -77.21 67.39 3.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 108.319 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.761 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 25.9 p -168.37 75.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.758 ' HG2' ' CG ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -24.05 -48.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.758 ' CG ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -127.71 -40.99 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 48.5 t 172.64 36.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' O ' ' C ' ' A' ' 13' ' ' PHE . 7.2 ptpt -170.73 81.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.688 ' CD1' ' HB3' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -11.27 120.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.539 HD22 ' CZ ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -83.41 -83.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.358 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.673 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -176.82 81.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.378 1.049 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.673 ' C ' ' O ' ' A' ' 15' ' ' LYS . 30.1 mt-10 -0.18 108.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.602 ' HA2' ' HD3' ' A' ' 41' ' ' ARG . . . 128.83 12.74 2.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.082 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -69.2 -16.61 63.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.396 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.117 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 36.51 143.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.382 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -65.75 -88.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.156 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 14.9 mtpp -124.21 126.23 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.458 ' N ' ' HA ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -65.47 59.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.206 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -29.86 -70.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.863 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 27.5 mtm180 -28.13 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -131.49 -49.26 0.11 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.956 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -172.79 -97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.458 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -164.77 142.07 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.978 ' HB2' HG23 ' A' ' 19' ' ' ILE . 72.6 mmm -95.05 -65.2 0.99 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.082 ' CB ' HG22 ' A' ' 18' ' ' THR . 3.2 m-20 -156.03 -122.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.009 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -170.4 109.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.647 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -112.44 166.6 11.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.273 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 1.2 p -58.63 -161.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.605 ' ND2' ' O ' ' A' ' 49' ' ' THR . 29.5 p-10 167.63 39.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.93 18.28 46.62 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 2.2 tttp -141.12 -109.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 0.731 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.765 ' C ' ' HA ' ' A' ' 6' ' ' PRO . 1.3 t -102.63 176.52 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.802 ' HB3' ' C ' ' A' ' 6' ' ' PRO . 20.0 p -124.74 72.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.829 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 19.4 p-10 -138.85 53.21 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.382 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER 81.26 29.92 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.965 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.1 Cg_endo -75.11 62.89 6.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.647 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -177.63 58.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.075 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.072 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -132.65 55.3 16.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.584 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.07 54.51 3.7 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.551 1.817 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.253 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -111.98 -142.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.671 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.063 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -13.48 -67.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.069 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -167.75 19.51 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.069 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 18.4 Cg_endo -75.04 -157.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.814 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 125.2 123.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.219 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.693 ' CB ' ' HA ' ' A' ' 40' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.923 ' H2 ' ' H ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 8.2 t -28.34 -55.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -168.62 71.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.6 t -179.63 -35.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.923 ' H ' ' H2 ' ' A' ' 1' ' ' GLU . . . -139.53 163.28 26.13 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.785 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 177.07 9.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.344 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 88.73 67.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.336 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.02 ' HA ' ' HA ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER 172.84 145.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 108.283 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.719 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -95.25 -0.68 52.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER 176.34 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 4.9 t 158.69 80.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.259 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.683 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 0.0 OUTLIER 170.5 -28.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.02 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 3.4 t80 71.92 126.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.843 ' HB3' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -84.66 -82.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.663 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.4 pttt -174.54 106.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.663 ' C ' ' O ' ' A' ' 15' ' ' LYS . 19.2 mt-10 -9.82 85.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 1.057 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 170.22 -58.78 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.057 ' O ' ' O ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER 8.97 -152.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 110.412 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.474 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -177.94 99.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.425 ' HB2' ' C ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -5.4 -85.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 108.301 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.073 ' CA ' ' HB2' ' A' ' 27' ' ' ASP . 7.1 mttt -157.05 90.91 1.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.422 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.1 tpp85 -37.92 89.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.759 ' N ' ' CD2' ' A' ' 44' ' ' HIS . . . -75.42 -30.46 60.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.19 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.908 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 3.4 ttm180 -35.09 -56.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.46 -37.75 0.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.68 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -167.69 113.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.327 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -38.55 150.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.023 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . 27.6 mmm -106.96 -67.85 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.595 1.184 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.157 ' O ' ' O ' ' A' ' 19' ' ' ILE . 1.4 m-20 -159.7 -149.2 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.847 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.5 OUTLIER -142.25 113.12 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.036 ' CD2' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -101.46 118.24 36.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.344 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 29.5 p -42.05 106.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.843 ' ND2' ' C ' ' A' ' 49' ' ' THR . 13.7 p30 -96.3 25.78 4.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 65.13 14.33 59.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.616 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 1.2 ttpp -122.59 -48.82 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.323 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.478 ' C ' ' HA ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -174.41 161.94 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.658 ' HB2' ' N ' ' A' ' 8' ' ' CYS . 1.4 p -99.33 56.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 108.375 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.629 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 72.4 m-20 -150.65 112.11 4.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.425 ' C ' ' HB2' ' A' ' 20' ' ' CYS . 3.3 t 44.61 45.37 2.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.897 ' HA ' ' HB ' ' A' ' 49' ' ' THR . 18.1 Cg_endo -75.01 -49.77 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.474 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 3.6 tpt85 -103.11 138.53 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.224 ' CG ' ' HB2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER 151.16 61.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.661 ' HD3' ' H ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.94 41.14 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.422 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -96.47 -129.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.671 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.744 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -31.45 -92.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.934 ' N ' ' HD3' ' A' ' 47' ' ' PRO . . . -133.99 24.48 3.62 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.224 ' HB2' ' CG ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.06 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.019 ' H ' ' ND2' ' A' ' 42' ' ' ASN . . . 96.91 122.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.897 ' HB ' ' HA ' ' A' ' 40' ' ' PRO . 1.2 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.416 ' N ' ' HB3' ' A' ' 38' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 t -74.7 -58.06 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.572 ' O ' ' CB ' ' A' ' 4' ' ' SER . 12.3 tt0 -136.62 -36.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.572 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 2.1 t 153.11 -16.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.615 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -86.15 138.38 15.93 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.745 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.99 161.94 37.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.787 . . . . 0.0 110.998 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.464 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 17.7 m 83.37 59.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.672 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -178.04 71.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 108.314 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.651 ' HD3' HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -27.14 -53.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.445 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -145.01 36.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 83.14 58.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.351 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -170.86 -34.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.629 ' CZ ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 78.34 121.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD23 HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -81.86 -79.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.695 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER 178.44 89.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.695 ' C ' ' O ' ' A' ' 15' ' ' LYS . 11.1 mt-10 0.69 76.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.565 ' O ' ' NE ' ' A' ' 41' ' ' ARG . . . -173.38 -39.38 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.439 1.087 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.217 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -41.44 135.48 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 0.0 110.429 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.298 ' CA ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -117.4 125.52 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.28 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 3.0 t -30.26 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 108.26 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.019 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -144.13 108.81 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.577 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -62.38 72.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.802 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -52.68 -63.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.953 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 23.2 mtm180 -14.93 -46.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.802 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -138.86 -71.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.797 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 5.3 p-10 -145.31 122.97 11.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.341 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -43.79 147.8 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.114 ' HB2' HG23 ' A' ' 19' ' ' ILE . 46.4 mmm -103.65 -75.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.207 ' CB ' HG22 ' A' ' 18' ' ' THR . 27.8 m-20 -148.95 -120.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.008 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER 179.24 106.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.487 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -110.31 167.39 10.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.464 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -52.12 -179.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.286 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.712 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 30.7 p-10 -176.42 30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.611 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 56.8 17.77 22.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.685 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -136.31 -73.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.327 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.706 HG22 ' H ' ' A' ' 37' ' ' CYS . 28.8 m -119.99 -178.71 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.706 ' H ' HG22 ' A' ' 36' ' ' THR . 18.7 p -144.24 81.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.294 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 1.032 ' O ' ' HB2' ' A' ' 39' ' ' CYS . 5.6 t70 154.75 57.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.28 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 140.82 -9.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 108.301 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.137 ' HA ' ' C ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -75.03 91.66 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.487 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.6 ttt180 141.59 70.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.134 ' O ' ' HB2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -159.08 55.05 0.74 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.597 ' C ' ' HD1' ' A' ' 44' ' ' HIS . 18.3 Cg_endo -74.94 51.63 2.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.577 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -100.96 -132.97 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.505 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.714 ' HG2' ' HA ' ' A' ' 24' ' ' ARG . 1.4 mmtp -38.71 -87.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.988 ' N ' ' CD ' ' A' ' 47' ' ' PRO . . . -118.9 7.45 13.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.414 1.071 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.134 ' HB2' ' O ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.99 -177.33 3.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.902 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 132.73 106.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 1.137 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 49.9 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.404 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.577 ' HB2' ' HA ' ' A' ' 11' ' ' CYS . 21.5 t -115.28 -57.17 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.256 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 5' ' ' GLY . 0.7 OUTLIER -122.66 22.02 9.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER 72.17 -13.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.955 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 3' ' ' GLU . . . -91.79 135.19 12.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.882 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.5 Cg_endo -74.93 167.05 27.93 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.405 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 86.7 m 79.47 32.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.748 ' O ' ' N ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -129.8 12.26 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.242 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.678 HH21 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 26.15 81.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.558 ' CG ' ' C ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER 71.79 -62.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 21.1 t -170.76 29.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.748 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -167.36 69.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.364 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' C ' ' O ' ' A' ' 12' ' ' LYS . 2.2 t80 -17.32 121.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.717 ' HG ' HG23 ' A' ' 18' ' ' THR . 0.1 OUTLIER -82.42 -97.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.65 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -160.9 96.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.65 ' C ' ' O ' ' A' ' 15' ' ' LYS . 15.9 mt-10 -12.77 91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.893 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 162.26 -23.25 0.21 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.071 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -37.89 -162.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.79 . . . . 0.0 110.41 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.164 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -176.4 129.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.585 1.178 . . . . 0.0 109.29 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.315 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -47.91 -91.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.211 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 4.6 mtmp? -125.48 131.32 52.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.5 ' H ' ' CA ' ' A' ' 27' ' ' ASP . 7.6 tpp85 -71.46 60.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.188 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -30.64 -56.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.735 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 31.8 mtm180 -38.05 -24.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.69 ' N ' ' O ' ' A' ' 22' ' ' ARG . . . -154.81 -44.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 1.005 ' O ' ' N ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -170.55 -94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.5 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -170.78 156.0 4.96 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 109.392 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.958 ' HB2' HG23 ' A' ' 19' ' ' ILE . 5.5 mmt -110.63 -46.8 3.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.071 ' CB ' HG22 ' A' ' 18' ' ' THR . 69.7 m-20 -163.47 -126.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.231 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.966 ' HB3' ' HA ' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -175.09 99.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.34 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -98.26 155.02 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 111.032 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.405 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -47.07 -177.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 108.269 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.806 HD22 ' C ' ' A' ' 49' ' ' THR . 51.4 p-10 -170.47 30.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 50.03 18.0 1.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.687 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -132.82 -47.38 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.588 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -166.16 173.1 10.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.402 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' HA ' ' HG3' ' A' ' 40' ' ' PRO . 31.6 p -118.54 64.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 108.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.789 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 2.8 t70 -142.94 77.61 1.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.315 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 66.3 32.05 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 108.253 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.94 ' HA ' ' C ' ' A' ' 49' ' ' THR . 18.6 Cg_endo -74.86 54.05 3.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.413 1.744 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.34 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.6 ttt180 -175.82 67.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.063 ' HB3' ' H ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -138.98 51.12 3.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.66 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.6 Cg_endo -74.97 59.55 5.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.256 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -116.65 -138.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.054 ' CB ' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mmpt? -17.18 -66.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.158 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -155.37 4.97 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.158 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 17.9 Cg_endo -75.06 -171.48 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.779 ' CB ' ' O ' ' A' ' 47' ' ' PRO . . . 134.17 92.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.94 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 7.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.366 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 2' ' ' CYS . 28.6 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 1' ' ' GLU . 51.1 t -36.55 -55.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 108.279 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 4' ' ' SER . 3.1 tt0 -149.79 -33.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 7.4 t 158.52 -10.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -88.97 136.68 13.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.423 1.077 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.817 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.5 Cg_endo -74.94 162.24 37.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.417 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 67.3 m 82.44 61.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 108.266 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -179.2 85.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 108.333 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.875 ' CB ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -33.91 -33.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.544 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 5.2 p30 -154.21 -44.04 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 171.2 50.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 108.299 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' O ' ' O ' ' A' ' 13' ' ' PHE . 5.3 tttt -173.11 30.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.809 ' O ' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER 36.73 120.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.951 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.875 HD23 ' CB ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -75.14 -117.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.823 ' HG3' HD13 ' A' ' 14' ' ' LEU . 18.8 mtmt -143.26 82.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.67 ' C ' ' O ' ' A' ' 15' ' ' LYS . 9.1 mt-10 -9.88 87.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.754 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 161.2 -13.46 0.15 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.436 1.085 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.124 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -45.58 -156.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.418 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.14 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 173.57 113.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.236 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.5 t -22.01 -90.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 108.227 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.933 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 53.5 mttt -144.07 97.39 3.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.542 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.9 tpp85 -48.75 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.062 ' HB3' ' HD3' ' A' ' 47' ' ' PRO . . . -76.79 -71.77 0.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 1.035 ' HA ' ' CG ' ' A' ' 45' ' ' LYS . 5.9 ptp180 -13.64 -42.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.915 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -131.7 -82.25 0.23 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.82 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -143.6 115.74 8.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.382 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -40.1 147.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.057 ' HB2' HG23 ' A' ' 19' ' ' ILE . 5.7 mmt -109.42 -90.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.124 ' CB ' HG22 ' A' ' 18' ' ' THR . 18.7 m-20 -130.03 -120.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.038 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 1.3 p30 -179.79 102.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.685 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -104.71 169.04 8.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 111.078 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.417 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -56.57 -178.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 108.301 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.682 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 38.0 p-10 -165.9 28.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 59.17 13.64 21.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.43 1.081 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.749 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 8.5 tttt -132.82 -60.71 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.593 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 7.1 t -144.32 -179.93 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.377 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.64 ' HA ' ' HG3' ' A' ' 40' ' ' PRO . 29.6 p -132.35 63.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 108.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.827 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 10.1 p-10 -141.89 58.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.236 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 90.18 25.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 108.295 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.0 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -74.9 67.66 5.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.685 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 2.9 ttm-85 172.71 48.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.273 ' O ' ' HB2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -132.02 48.48 3.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.71 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.03 58.83 5.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.542 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -99.39 -142.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.035 ' CG ' ' HA ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.1 47.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.595 ' N ' ' CD ' ' A' ' 47' ' ' PRO . . . 163.82 -45.02 0.32 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.273 ' HB2' ' O ' ' A' ' 42' ' ' ASN . 18.5 Cg_endo -74.92 -173.88 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.835 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 138.11 90.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.87 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 18.1 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.431 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 1' ' ' GLU . 25.8 t 37.13 -95.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 108.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.745 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -129.29 -3.44 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.745 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 15.7 t 132.52 33.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.926 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 37' ' ' CYS . . . -128.74 126.75 5.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.768 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 164.25 33.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.401 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 50.1 m 85.72 65.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.369 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.629 ' HB2' ' H ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER 171.61 144.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 108.329 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.751 ' CG ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -80.54 -17.77 50.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.312 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.556 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 1.2 p30 -162.15 -38.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.556 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 8.5 t 173.57 40.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.431 1.082 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.731 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -164.53 71.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.731 ' O ' ' O ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -4.71 127.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.928 HD13 ' OG1' ' A' ' 18' ' ' THR . 0.0 OUTLIER -84.22 -97.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.691 ' O ' ' C ' ' A' ' 16' ' ' GLU . 3.0 ptmt -164.35 83.99 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.691 ' C ' ' O ' ' A' ' 15' ' ' LYS . 32.5 mt-10 -4.87 116.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.475 ' H ' ' HB2' ' A' ' 31' ' ' TYR . . . 124.1 5.25 7.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.287 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -84.13 92.49 7.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.433 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.362 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -65.49 136.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.316 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -45.65 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.334 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.976 ' H ' ' CB ' ' A' ' 42' ' ' ASN . 2.6 mtpt -138.19 118.01 13.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.51 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -64.59 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.176 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -36.97 -57.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.999 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 11.6 mtm180 -31.03 -29.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.399 1.062 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -144.74 -58.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.566 1.166 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 1.228 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 20.8 t70 -171.48 129.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.162 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -37.48 149.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.007 ' HG2' ' HB2' ' A' ' 22' ' ' ARG . 83.3 mmm -114.41 -74.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.091 ' CB ' HG22 ' A' ' 18' ' ' THR . 8.2 m-20 -142.38 -136.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.902 ' HB3' ' HA ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -158.63 107.24 1.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.287 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -103.79 124.98 49.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.401 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -34.76 146.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.78 HD22 ' C ' ' A' ' 49' ' ' THR . 57.2 p30 -129.68 32.49 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.38 19.41 6.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.702 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -136.43 -53.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.68 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 17.6 p -157.26 158.24 35.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 1.8 p -106.67 71.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 108.353 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.532 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 35.7 t70 -143.37 64.51 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.316 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 74.49 39.49 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 108.294 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.998 ' HA ' ' CB ' ' A' ' 49' ' ' THR . 18.3 Cg_endo -75.07 51.29 2.77 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.493 1.786 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.362 ' CB ' ' HA ' ' A' ' 19' ' ' ILE . 47.3 ttt85 -175.21 70.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.103 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -142.55 48.77 1.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.709 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.96 53.99 3.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.51 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -113.73 -135.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.561 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.054 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -20.52 -74.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.02 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -145.28 6.48 1.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.103 ' HB2' ' CB ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.06 -167.02 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.986 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 129.92 93.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.998 ' CB ' ' HA ' ' A' ' 40' ' ' PRO . 53.1 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.751 ' H2 ' ' N ' ' A' ' 5' ' ' GLY . 65.7 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 3' ' ' GLU . 1.7 m 66.0 -57.03 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 1' ' ' GLU . 38.2 mt-10 -159.96 47.24 0.26 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.6 ' C ' ' H2 ' ' A' ' 1' ' ' GLU . 2.4 t 155.31 76.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.905 ' O ' ' HB3' ' A' ' 37' ' ' CYS . . . 146.01 106.93 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.931 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.2 Cg_endo -75.04 141.74 26.89 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.309 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 67.6 m 106.23 57.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.782 ' O ' ' N ' ' A' ' 10' ' ' ASN . 3.1 p 178.14 48.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 108.298 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -1.5 -62.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.782 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -135.04 42.66 2.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.724 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 79.23 34.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 108.265 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -145.4 -38.99 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.705 ' N ' ' HA ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER 80.78 127.13 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.638 ' HB2' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -90.74 -79.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.237 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.656 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER 179.46 84.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.754 ' HA ' ' HD2' ' A' ' 31' ' ' TYR . 33.4 mt-10 11.86 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.65 ' HA2' ' HD3' ' A' ' 41' ' ' ARG . . . 166.19 64.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.219 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -121.32 -17.87 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 110.445 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.072 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 41.73 125.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.117 ' O ' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -47.13 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 108.287 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.995 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 7.1 mtmp? -141.25 103.59 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.55 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.3 tpp85 -56.48 91.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.748 ' HB3' ' HG3' ' A' ' 47' ' ' PRO . . . -78.16 -27.17 48.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.931 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . 3.9 mtm180 -41.68 -47.0 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 110.237 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.34 -41.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.847 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -164.44 114.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.361 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -42.48 153.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.042 ' HB2' HG23 ' A' ' 19' ' ' ILE . 50.9 mmm -109.94 -93.18 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.219 ' CB ' HG22 ' A' ' 18' ' ' THR . 80.2 m-20 -132.04 -114.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.119 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -179.64 107.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.63 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -110.3 -179.36 3.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.309 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 17.2 p -89.94 116.88 28.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 108.266 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.757 ' CB ' ' HB2' ' A' ' 40' ' ' PRO . 30.8 p-10 -98.11 20.16 12.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.706 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 81.63 2.8 90.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.397 1.061 . . . . 0.0 110.974 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.807 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -113.98 -60.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.299 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.748 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 1.7 m -139.18 -179.26 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.442 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.905 ' HB3' ' O ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -128.48 39.05 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 108.338 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 21.9 m-20 -98.03 -50.21 4.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.119 ' HA ' ' CB ' ' A' ' 30' ' ' ASP . 16.7 p -176.37 34.24 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 108.243 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.095 ' HD3' ' H ' ' A' ' 39' ' ' CYS . 18.1 Cg_endo -75.1 90.57 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.63 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 3.6 ttm-85 168.18 27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.108 HD22 ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -114.38 52.69 0.64 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.882 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.06 50.22 2.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.768 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.55 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -96.08 -136.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.561 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 24' ' ' ARG . 6.1 mmtt -28.76 -77.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.005 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -147.18 21.93 1.57 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.071 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.0 -147.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.519 1.8 . . . . 0.0 110.921 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.855 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 106.2 126.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.06 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.899 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 1.1 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 1' ' ' GLU . 14.4 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 10' ' ' ASN . 62.8 m -102.0 30.73 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 108.309 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 2.0 mt-10 77.88 65.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 110.34 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.6 t -166.79 34.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.681 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . 53.67 177.98 0.1 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.446 1.091 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.98 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -75.06 176.27 10.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.301 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 1.3 m 77.75 37.0 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 108.306 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.784 ' O ' ' N ' ' A' ' 11' ' ' CYS . 10.9 p -158.13 36.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.781 ' HB2' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER 3.24 109.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.814 ' OD1' ' N ' ' A' ' 11' ' ' CYS . 1.8 p30 63.81 -44.32 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.814 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 3.7 p 153.25 46.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 108.248 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.679 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -151.46 -34.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.715 ' CA ' ' HA ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 88.22 119.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.723 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 1.1 tm? -93.7 -62.97 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.723 ' HB3' ' O ' ' A' ' 14' ' ' LEU . 4.4 ptmt 164.95 100.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.682 ' C ' ' O ' ' A' ' 15' ' ' LYS . 15.2 mt-10 -0.86 83.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.727 ' HA2' ' CD ' ' A' ' 41' ' ' ARG . . . 133.54 101.2 0.74 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.539 1.15 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.1 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.1 OUTLIER -169.82 86.07 0.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 0.758 . . . . 0.0 110.373 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.302 HG13 ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -33.47 172.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.442 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 28.0 t -120.41 -8.28 9.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.712 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -147.73 -90.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.021 ' C ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER 137.04 81.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.945 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -106.68 -125.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 1.206 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . 0.1 OUTLIER 17.23 -81.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.703 ' O ' ' NH2' ' A' ' 22' ' ' ARG . . . -175.1 -23.52 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.166 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.791 ' HA ' HH21 ' A' ' 22' ' ' ARG . 0.1 OUTLIER -113.02 110.15 20.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.973 ' HB3' ' NE ' ' A' ' 22' ' ' ARG . 1.8 p-10 -115.8 -177.97 3.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.143 ' H ' ' CG2' ' A' ' 19' ' ' ILE . 2.4 mmt -144.51 -107.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.954 ' O ' ' O ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -146.16 -89.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.1 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -154.93 106.85 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.494 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -114.93 177.27 4.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 110.951 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.301 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -61.03 -141.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 108.236 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.761 ' HB2' ' O ' ' A' ' 32' ' ' CYS . 47.7 t30 148.92 16.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.58 ' N ' ' HG2' ' A' ' 6' ' ' PRO . . . 64.34 -15.6 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.58 1.175 . . . . 0.0 111.086 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.98 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -95.64 -67.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.776 ' O ' ' CG ' ' A' ' 40' ' ' PRO . 21.0 p -155.45 149.53 25.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.915 ' N ' ' HA ' ' A' ' 6' ' ' PRO . 28.4 p -84.97 52.3 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 108.316 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.98 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 12.5 t0 -97.46 5.47 49.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.442 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 13.4 p 95.74 30.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 108.293 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.149 ' HD2' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.97 68.65 5.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.494 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -140.38 37.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.342 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.163 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -111.79 57.09 0.45 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.404 1.065 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.879 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.0 16.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.302 ' CE1' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -66.46 -147.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 1.134 . . . . 0.0 109.547 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.025 ' H ' ' N ' ' A' ' 24' ' ' ARG . 17.1 mtmm -18.38 -62.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.066 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . 175.1 36.54 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.163 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.6 Cg_endo -74.84 -103.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.624 ' N ' ' OD1' ' A' ' 42' ' ' ASN . . . 74.57 143.74 0.07 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.746 HG21 ' SG ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.727 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.727 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 45.8 t 113.29 40.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.236 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 12.2 tp10 172.82 -21.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 2.0 t 157.58 -13.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 1' ' ' GLU . . . -82.49 150.23 28.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.061 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.4 Cg_endo -74.98 156.9 43.1 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.443 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 1.1 m 88.54 63.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.35 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.684 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 172.23 99.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.294 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.068 ' HD2' HG21 ' A' ' 18' ' ' THR . 0.6 OUTLIER -55.66 -10.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.735 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 3.7 p30 177.64 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.735 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 5.3 t 165.39 38.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 108.23 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 26.4 mmtt -149.8 -35.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.618 ' CA ' ' HA ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 65.94 154.96 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.979 HD13 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -110.35 -100.45 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.979 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -165.47 78.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.38 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.851 ' HA ' ' HD2' ' A' ' 31' ' ' TYR . 47.4 mt-10 19.35 106.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.592 ' O ' HG22 ' A' ' 19' ' ' ILE . . . 135.07 4.15 2.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.422 1.076 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.127 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -67.94 -13.75 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.417 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.123 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 32.62 142.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.129 ' HB3' ' CG ' ' A' ' 42' ' ' ASN . 1.6 t -68.34 -93.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 108.353 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.218 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 4.5 mtpm? -115.06 127.62 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.54 ' H ' ' CA ' ' A' ' 27' ' ' ASP . 6.1 tpp85 -66.4 59.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 0.0 110.338 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.286 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -36.22 -46.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.857 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 21.4 mtm180 -49.24 -15.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 22' ' ' ARG . . . -160.5 -41.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.16 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.944 ' N ' ' O ' ' A' ' 22' ' ' ARG . 15.7 t70 -170.69 -104.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.54 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -163.3 147.05 10.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.996 ' HB2' HG23 ' A' ' 19' ' ' ILE . 73.2 mmm -100.9 -69.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.127 ' CB ' HG22 ' A' ' 18' ' ' THR . 61.1 m-20 -153.38 -125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.208 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.055 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -164.74 115.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.643 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -117.81 179.81 3.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.443 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 24.5 p -84.28 114.05 21.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 108.275 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.791 ' HB3' ' O ' ' A' ' 40' ' ' PRO . 52.1 p-10 -89.97 15.74 9.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.716 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 73.81 9.78 79.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.983 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -129.65 -44.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.383 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.734 ' C ' ' HA ' ' A' ' 6' ' ' PRO . 4.8 m -157.36 174.57 15.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.564 ' N ' HG22 ' A' ' 36' ' ' THR . 17.7 p -128.44 103.54 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 1.065 ' H ' ' HD3' ' A' ' 40' ' ' PRO . 0.3 OUTLIER 179.05 39.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.02 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 0.8 OUTLIER 98.6 19.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.329 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.065 ' HD3' ' H ' ' A' ' 38' ' ' ASP . 18.2 Cg_endo -74.98 69.81 5.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.643 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -173.61 29.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.329 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -108.95 60.44 0.26 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.913 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.96 52.64 3.09 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.532 1.807 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.286 ' HD2' ' N ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -113.23 -150.47 0.47 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.04 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 6.3 mmtt -6.62 -73.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.021 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -175.07 34.51 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.586 1.179 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.329 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.07 -105.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.619 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 76.08 126.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.911 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' CYS . 12.7 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.7 t -100.26 -53.51 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 4' ' ' SER . 6.5 tp10 -122.43 -35.65 3.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 1.2 t 152.07 -11.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.557 1.161 . . . . 0.0 110.037 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.507 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -98.98 146.03 17.95 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.027 ' HB2' ' CB ' ' A' ' 32' ' ' CYS . 18.4 Cg_endo -75.04 -172.27 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.437 1.756 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.38 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 1.3 m 74.48 36.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' O ' ' N ' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -165.23 73.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.331 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.727 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -21.73 -41.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' CYS . 5.7 p30 -141.9 -46.05 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 109.213 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.525 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 6.6 t 179.42 38.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 108.238 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -167.66 66.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.666 ' C ' ' O ' ' A' ' 12' ' ' LYS . 2.2 t80 -4.72 116.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.781 ' HG ' HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER -69.97 -75.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.667 ' O ' ' C ' ' A' ' 16' ' ' GLU . 5.7 ptmt 170.03 96.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.667 ' C ' ' O ' ' A' ' 15' ' ' LYS . 18.5 mt-10 -10.05 86.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.687 ' HA2' ' CD ' ' A' ' 41' ' ' ARG . . . 144.59 62.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.261 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -140.06 93.91 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 110.364 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.153 ' CG2' ' H ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -48.16 170.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.026 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 11.8 t -117.57 -32.03 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 108.298 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.026 ' HG2' ' O ' ' A' ' 20' ' ' CYS . 27.7 mmtt -160.39 107.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.23 ' NH2' ' H ' ' A' ' 27' ' ' ASP . 10.4 tpp85 -50.21 92.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.093 ' HB2' ' CG ' ' A' ' 47' ' ' PRO . . . -77.45 -128.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 1.441 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -36.98 -58.17 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.364 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.671 ' O ' ' CB ' ' A' ' 26' ' ' ASP . . . 169.37 110.64 0.23 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.959 ' H ' ' NE ' ' A' ' 22' ' ' ARG . 2.0 t70 140.45 67.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 0.771 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.23 ' H ' ' NH2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -103.07 165.38 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.153 ' H ' ' CG2' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -137.45 -63.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.983 ' O ' ' O ' ' A' ' 19' ' ' ILE . 0.4 OUTLIER 180.0 -92.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.261 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -158.07 105.43 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.36 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.97 170.15 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.38 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -60.94 -152.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 108.298 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.872 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 7.7 p-10 151.41 39.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.363 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.614 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 26.29 73.22 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.577 1.173 . . . . 0.0 111.061 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.778 ' H ' ' HG3' ' A' ' 6' ' ' PRO . 52.7 tttt 174.35 -36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.665 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 0.8 OUTLIER 169.25 143.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.803 ' CA ' ' HA ' ' A' ' 6' ' ' PRO . 11.1 p -92.25 82.09 4.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.268 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 1.021 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 57.3 t0 -124.76 9.84 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.021 ' SG ' ' O ' ' A' ' 38' ' ' ASP . 14.3 p 95.44 32.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.342 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.225 ' HD2' ' O ' ' A' ' 31' ' ' TYR . 18.1 Cg_endo -75.03 70.26 5.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.36 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -145.17 36.74 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.335 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.117 ' OD1' ' HB2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -115.68 64.76 2.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.722 ' HD2' ' CE1' ' A' ' 44' ' ' HIS . 18.3 Cg_endo -74.93 27.57 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.162 ' CB ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -90.37 -153.89 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.639 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.441 ' HG3' ' N ' ' A' ' 24' ' ' ARG . 12.0 mtmt -1.05 -76.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.06 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . 175.86 38.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.117 ' HB2' ' OD1' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 -92.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 47' ' ' PRO . . . 69.77 132.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 1.058 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 14.9 m . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.557 ' N ' ' HA3' ' A' ' 5' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.576 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER 161.74 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 108.298 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.659 ' O ' ' CB ' ' A' ' 4' ' ' SER . 5.7 tp10 -158.38 63.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.659 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 4.4 t 101.15 54.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.733 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -167.82 139.12 5.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.971 ' HG3' ' N ' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -75.01 162.31 37.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.386 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 83.07 50.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.288 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.898 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 176.82 65.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.306 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.634 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -16.35 -50.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.68 ' N ' ' O ' ' A' ' 8' ' ' CYS . 6.8 p30 -132.44 -42.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 18.7 t 177.88 44.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.601 ' O ' ' C ' ' A' ' 13' ' ' PHE . 14.0 ptpt -168.94 78.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.601 ' C ' ' O ' ' A' ' 12' ' ' LYS . 4.5 t80 -18.17 131.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.681 ' CD1' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -81.8 -112.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' H ' HD23 ' A' ' 14' ' ' LEU . 15.0 pttm -153.29 53.4 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' LYS . 47.0 mt-10 31.29 89.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.596 ' H ' ' HB2' ' A' ' 31' ' ' TYR . . . 138.45 61.75 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.002 ' HB ' ' C ' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -142.58 72.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.361 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.245 ' HB ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -43.63 152.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 26.7 t -79.98 -54.71 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 108.339 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.23 ' C ' HD11 ' A' ' 19' ' ' ILE . 47.8 mmtt -132.63 154.0 50.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.182 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 4.0 tpp85 -88.05 99.69 12.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.229 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.089 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -83.05 -113.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 1.488 ' CA ' ' HG2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -48.8 -55.25 12.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 110.237 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.684 ' O ' ' CB ' ' A' ' 26' ' ' ASP . . . 168.59 109.86 0.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.429 1.08 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 1.113 ' H ' ' NE ' ' A' ' 22' ' ' ARG . 2.9 t70 139.49 61.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 109.252 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.182 ' CB ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -91.68 164.69 13.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.188 ' N ' HG23 ' A' ' 19' ' ' ILE . 7.2 mmt -147.56 -92.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.894 ' HB2' HG22 ' A' ' 18' ' ' THR . 0.3 OUTLIER -157.02 -87.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.002 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -157.47 119.72 3.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.372 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -122.04 178.35 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.386 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 15.0 p -94.41 106.56 18.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 1.143 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -92.19 12.05 23.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.885 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 83.45 -13.11 48.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.971 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 4.6 tptt -95.74 -57.91 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.828 ' O ' ' CG ' ' A' ' 40' ' ' PRO . 12.6 p -158.14 162.38 37.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.401 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.747 ' HB2' ' C ' ' A' ' 8' ' ' CYS . 28.0 p -97.33 49.24 1.05 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.55 1.156 . . . . 0.0 108.278 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.944 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -99.58 7.13 45.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 11.6 p 96.46 30.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 108.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.115 ' HB3' ' C ' ' A' ' 49' ' ' THR . 18.5 Cg_endo -74.93 67.9 5.79 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.372 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -141.71 35.61 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.044 ' HB2' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -107.93 61.24 0.23 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.92 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.97 24.63 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.556 1.819 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.088 ' CB ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -79.47 -146.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.621 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.488 ' HG2' ' CA ' ' A' ' 24' ' ' ARG . 9.7 mmtt -16.78 -67.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.027 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . 174.33 38.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.14 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.044 ' HG2' ' HB2' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.0 -97.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 47' ' ' PRO . . . 78.48 136.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 1.115 ' C ' ' HB3' ' A' ' 40' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.405 1.066 . . . . 0.0 110.454 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.768 ' H3 ' HG23 ' A' ' 36' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.569 ' N ' ' HG3' ' A' ' 1' ' ' GLU . 0.1 OUTLIER -33.57 -59.24 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 108.317 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' H ' ' HG3' ' A' ' 1' ' ' GLU . 1.1 tt0 -105.8 -40.94 5.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 3' ' ' GLU . 4.7 t 163.43 -23.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.073 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.712 ' N ' ' HG2' ' A' ' 1' ' ' GLU . . . -58.05 119.53 17.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.093 ' C ' ' HB3' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.02 168.64 24.38 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.432 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 71.7 m 107.13 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 108.292 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 1.37 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -69.1 148.53 49.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 108.353 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.834 HH21 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -98.97 2.75 46.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.641 ' ND2' ' HD3' ' A' ' 9' ' ' ARG . 16.8 p30 -178.07 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.609 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 m -179.41 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.68 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 4.5 ptmt -123.09 138.37 54.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.731 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 3.8 t80 -50.65 141.08 13.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.834 ' HA ' HH21 ' A' ' 9' ' ' ARG . 1.3 tm? -98.5 -77.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.671 ' HA ' ' CZ ' ' A' ' 13' ' ' PHE . 6.4 tttp 175.19 104.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.608 ' C ' ' O ' ' A' ' 15' ' ' LYS . 27.9 mt-10 -19.78 132.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.322 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' HA2' ' NE ' ' A' ' 41' ' ' ARG . . . 98.85 18.49 24.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.126 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -76.16 -17.39 59.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.759 . . . . 0.0 110.336 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.258 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 36.46 136.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.199 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -49.45 -88.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.931 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 6.2 mttm -139.67 91.2 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.61 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -38.58 86.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.784 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -70.62 -73.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 1.067 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 4.6 ptp180 -25.62 -32.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.784 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -133.63 -112.11 1.29 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.866 ' O ' ' HB3' ' A' ' 22' ' ' ARG . 0.6 OUTLIER -114.66 108.02 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 0.734 . . . . 0.0 109.374 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.256 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.7 OUTLIER -37.6 146.24 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.09 ' HB2' HD13 ' A' ' 19' ' ' ILE . 81.0 mmm -106.76 -101.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.126 ' CB ' HG22 ' A' ' 18' ' ' THR . 69.4 m-20 -133.17 -113.14 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.039 ' C ' ' HB ' ' A' ' 18' ' ' THR . 7.3 p30 -166.46 119.28 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.456 ' CD2' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -110.93 143.15 42.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.432 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 2.1 p -52.15 128.44 24.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.327 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.943 HD22 ' C ' ' A' ' 49' ' ' THR . 43.9 p30 -107.2 21.71 17.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 64.42 22.86 67.97 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.699 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -145.34 -47.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.825 ' O ' ' HG3' ' A' ' 40' ' ' PRO . 89.1 m -155.48 162.15 40.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.37 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -113.73 70.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.239 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.727 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 23.1 p-10 -143.18 66.94 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.199 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 70.77 33.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.925 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.07 54.54 3.71 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.762 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.456 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 12.6 ttt85 -176.07 61.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.244 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.987 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -133.02 52.19 8.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.98 36.87 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.61 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -92.25 -134.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.067 ' HG2' ' N ' ' A' ' 24' ' ' ARG . 4.7 mmmt -21.89 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.112 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -140.1 11.27 3.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.112 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -74.99 -164.55 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.802 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.816 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 129.52 94.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.943 ' C ' HD22 ' A' ' 33' ' ' ASN . 3.7 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.432 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 38' ' ' ASP . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 16.0 t -108.1 -64.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.237 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' A' ' 4' ' ' SER . 0.5 OUTLIER -129.44 31.64 4.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.572 ' HB3' ' O ' ' A' ' 3' ' ' GLU . 24.4 t 73.25 0.13 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.608 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -97.41 141.08 15.41 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.965 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.01 170.36 20.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.464 1.77 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.476 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 50.6 m 79.2 42.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.295 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.834 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -159.32 61.72 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 108.312 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.615 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.9 ptt180 -18.15 -56.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.718 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.7 p30 -137.09 9.14 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.718 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 35.4 t 110.95 70.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 108.296 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER 171.58 -26.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.628 ' CE2' ' HB3' ' A' ' 7' ' ' CYS . 0.5 OUTLIER 83.16 123.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.906 HD12 HG23 ' A' ' 18' ' ' THR . 3.2 tm? -85.35 -70.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.62 ' O ' ' N ' ' A' ' 17' ' ' GLY . 2.1 tttt 171.75 105.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 15' ' ' LYS . 2.8 mt-10 -25.31 87.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.801 ' O ' ' O ' ' A' ' 18' ' ' THR . . . 165.68 -23.76 0.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.116 ' O ' ' HG2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -40.33 -169.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.435 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.162 ' CA ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -171.34 123.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.266 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 1.4 t -37.55 -87.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.155 . . . . 0.0 108.348 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.104 ' HA ' ' CB ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -137.51 129.03 28.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.598 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 12.0 tpp85 -69.02 63.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.081 ' HB1' ' HB2' ' A' ' 45' ' ' LYS . . . -39.06 -71.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.996 ' H ' ' HB2' ' A' ' 44' ' ' HIS . 5.7 ptp180 -36.67 -22.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -140.99 -94.22 0.23 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 1.141 ' C ' ' HB3' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -149.88 112.77 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.463 ' CA ' ' H ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -23.28 140.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.971 ' HB2' HG23 ' A' ' 19' ' ' ILE . 22.7 mmm -106.13 -62.6 1.36 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.048 ' CB ' HG22 ' A' ' 18' ' ' THR . 4.4 m-20 -147.46 -131.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.009 ' CB ' ' HA ' ' A' ' 39' ' ' CYS . 2.4 p-10 -173.29 102.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.407 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -100.85 162.45 12.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.476 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -54.78 -151.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 108.222 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.828 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 17.4 p-10 154.11 39.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.676 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . . . 28.32 65.99 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.904 ' H ' ' HG3' ' A' ' 6' ' ' PRO . 5.6 mttp 178.72 -33.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 0.722 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.615 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 9.7 t -177.86 165.0 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.742 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 26.8 p -127.09 60.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 1.0 ' O ' HG21 ' A' ' 49' ' ' THR . 2.0 t0 -137.87 67.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.266 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER 72.14 32.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.958 ' HG2' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.01 55.37 3.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.407 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -171.43 74.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.217 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -151.26 59.39 3.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.09 47.02 1.66 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 111.018 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.598 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -104.3 -146.93 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.62 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.081 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 1.3 mmpt? -14.74 -82.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.913 ' N ' ' HD3' ' A' ' 47' ' ' PRO . . . -150.43 27.87 1.08 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.217 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -74.96 -154.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.487 1.782 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.938 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 114.7 123.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 1.0 HG21 ' O ' ' A' ' 38' ' ' ASP . 1.1 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.442 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLU . 0.8 OUTLIER -39.84 -46.93 2.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 108.335 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.628 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -179.85 48.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.68 ' O ' ' HA ' ' A' ' 36' ' ' THR . 2.5 t 95.96 -66.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.621 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . -37.57 123.55 1.11 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.992 ' HA ' ' HB3' ' A' ' 37' ' ' CYS . 18.5 Cg_endo -74.92 170.66 19.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.415 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.3 m 76.94 63.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 108.33 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.621 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -154.14 -41.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 108.311 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.621 ' H ' ' HB2' ' A' ' 37' ' ' CYS . 0.0 OUTLIER 73.65 -48.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.58 ' ND2' ' C ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -158.72 23.75 0.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 2.5 t 86.61 66.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 108.404 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.0 mtpt 167.39 -23.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.59 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 81.35 123.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.572 ' HG ' HG21 ' A' ' 18' ' ' THR . 0.4 OUTLIER -85.46 -60.9 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.677 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 161.07 107.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.585 ' C ' ' O ' ' A' ' 15' ' ' LYS . 32.7 mt-10 -22.06 84.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.677 ' N ' ' O ' ' A' ' 15' ' ' LYS . . . 148.57 60.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.089 HG22 ' HB2' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -134.86 62.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.375 HG13 ' CE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -37.34 150.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.314 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -64.74 -74.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.245 ' O ' HD11 ' A' ' 19' ' ' ILE . 3.7 mmtm -124.11 157.91 33.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.226 HH11 ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -84.85 95.84 9.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.056 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . . . -88.87 -59.81 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.957 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 13.2 mtm180 -49.32 -63.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 1.226 ' N ' HH11 ' A' ' 22' ' ' ARG . . . -170.45 -46.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 1.192 ' O ' ' NH2' ' A' ' 22' ' ' ARG . 11.7 t0 -121.41 120.47 35.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.087 ' CB ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -97.68 -175.04 3.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.933 ' CG ' HG22 ' A' ' 19' ' ' ILE . 15.5 mmt -122.69 -72.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.089 ' HB2' HG22 ' A' ' 18' ' ' THR . 1.2 m-20 -175.73 -94.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 109.372 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.821 ' CB ' ' N ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -171.09 104.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.55 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -114.55 -173.89 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.415 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -62.51 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 108.363 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.782 ' ND2' ' C ' ' A' ' 49' ' ' THR . 24.1 p-10 159.92 23.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.637 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 65.29 1.41 7.45 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.958 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -126.02 -78.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.816 ' O ' ' HB3' ' A' ' 6' ' ' PRO . 55.6 m -118.43 174.13 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 0.0 110.423 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.992 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 29.1 p -140.45 84.23 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 1.18 ' H ' ' CD ' ' A' ' 40' ' ' PRO . 10.0 t70 173.62 52.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.314 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER 119.16 -0.57 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 108.278 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.18 ' CD ' ' H ' ' A' ' 38' ' ' ASP . 18.3 Cg_endo -74.95 84.47 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.55 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER 163.48 33.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.091 ' HA ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -109.82 44.88 0.2 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.968 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.93 48.73 2.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.465 1.771 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.375 ' CE1' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -98.75 -135.13 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.58 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.964 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 1.9 mmtm -21.22 -59.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.268 ' H ' ' CD ' ' A' ' 47' ' ' PRO . . . -164.6 5.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.268 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 18.2 Cg_endo -75.06 -175.19 2.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 47' ' ' PRO . . . 142.11 110.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.828 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 1.9 m . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.375 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.914 ' H2 ' ' CA ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.545 ' C ' ' O ' ' A' ' 1' ' ' GLU . 0.1 OUTLIER -31.54 93.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.223 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 1' ' ' GLU . 0.2 OUTLIER 31.21 58.22 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' A' ' 4' ' ' SER . 3.1 t 168.3 47.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.914 ' CA ' ' H2 ' ' A' ' 1' ' ' GLU . . . 149.55 143.2 3.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.898 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 18.3 Cg_endo -75.06 162.27 37.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.259 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.5 OUTLIER 82.43 64.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 108.282 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.674 ' N ' ' HB2' ' A' ' 37' ' ' CYS . 0.4 OUTLIER 171.61 104.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.247 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.092 ' HD2' HG21 ' A' ' 18' ' ' THR . 0.2 OUTLIER -64.89 -17.88 64.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.155 . . . . 0.0 110.241 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.756 ' N ' HD22 ' A' ' 10' ' ' ASN . 0.1 OUTLIER 172.05 37.25 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 10' ' ' ASN . 5.4 m 88.38 67.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 5.0 tptt 179.46 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 15' ' ' LYS . 7.0 t80 61.57 145.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -104.93 -78.26 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER 169.71 86.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.654 ' C ' ' O ' ' A' ' 15' ' ' LYS . 43.4 mt-10 13.42 106.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.326 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.989 ' H ' ' HB2' ' A' ' 31' ' ' TYR . . . 130.92 23.42 0.95 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.562 1.163 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.29 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -89.81 -6.78 55.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 0.729 . . . . 0.0 110.452 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.228 ' CA ' ' O ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 35.74 146.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.296 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -66.54 -89.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.282 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.021 ' HA ' ' HB2' ' A' ' 27' ' ' ASP . 5.2 mttm -129.52 112.2 13.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.583 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 11.1 tpp85 -54.84 65.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.119 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -44.1 -52.41 7.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.997 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 18.5 mtm180 -37.18 -29.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -142.56 -38.66 0.07 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 1.052 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -174.63 -108.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.369 0.688 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.39 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -164.49 141.86 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.922 ' HB2' HG23 ' A' ' 19' ' ' ILE . 10.0 mmt -99.72 -70.51 0.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.29 ' CB ' HG22 ' A' ' 18' ' ' THR . 6.3 m-20 -158.56 -133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.973 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.7 OUTLIER -150.23 126.43 10.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.527 ' CD2' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -115.41 142.67 46.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.259 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 23.7 p -67.98 94.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 108.368 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.816 ' HB3' ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -98.32 10.55 40.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.649 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . . . 96.05 16.76 37.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 49' ' ' THR . 18.6 tptt -95.51 -101.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.673 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 13.7 t -148.33 18.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.714 ' N ' ' HA ' ' A' ' 6' ' ' PRO . 8.6 p 61.94 51.87 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.749 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 7.3 t70 -127.86 50.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.296 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER 79.14 34.16 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.332 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.927 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -74.99 60.3 5.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.555 1.818 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.527 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -177.67 61.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.169 ' O ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -134.89 56.53 17.32 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -74.97 50.08 2.42 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.427 1.751 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.583 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -105.28 -138.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.947 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 8.9 mmmt -21.69 -78.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.03 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -152.92 24.56 0.81 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.497 1.123 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.169 ' HG2' ' O ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.04 -160.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.009 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.802 ' CB ' ' O ' ' A' ' 47' ' ' PRO . . . 127.81 121.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.697 HG21 ' O ' ' A' ' 38' ' ' ASP . 1.2 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.446 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 1' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -57.99 -73.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 108.255 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.547 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 8.3 pt-20 157.92 52.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.3 t -178.41 54.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.6 175.05 45.23 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.007 ' HA ' ' HB3' ' A' ' 37' ' ' CYS . 18.4 Cg_endo -75.02 175.22 11.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.053 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.406 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 0.6 OUTLIER 83.75 43.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 108.335 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.732 ' H ' ' HB2' ' A' ' 37' ' ' CYS . 1.6 p -146.06 29.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.869 ' NH2' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -2.82 114.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.728 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.7 OUTLIER 27.01 67.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.642 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 2.1 t 46.65 67.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 108.312 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.642 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 2.6 tttt 151.37 75.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 15' ' ' LYS . 9.9 t80 -34.0 136.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.952 HD12 HG23 ' A' ' 18' ' ' THR . 1.9 tm? -103.0 -58.19 1.91 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.666 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER 154.46 100.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.666 ' C ' ' O ' ' A' ' 15' ' ' LYS . 40.9 mt-10 -9.35 121.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.756 ' HA2' ' HD3' ' A' ' 41' ' ' ARG . . . 116.46 12.22 9.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.411 1.069 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.144 HG22 ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -72.73 -11.39 60.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 110.364 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.106 ' HA ' ' CB ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER 33.89 144.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.299 ' CB ' ' O ' ' A' ' 39' ' ' CYS . 1.0 OUTLIER -64.14 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.043 ' H ' ' HB3' ' A' ' 42' ' ' ASN . 11.1 mtmt -130.85 112.01 12.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 1.607 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 7.2 tpp85 -55.02 64.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 110.365 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.087 ' N ' ' HD2' ' A' ' 44' ' ' HIS . . . -42.32 -59.9 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.993 ' H ' ' CB ' ' A' ' 44' ' ' HIS . 49.3 mtm180 -30.3 -33.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.602 1.189 . . . . 0.0 110.31 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 23' ' ' ALA . . . -136.35 -41.37 0.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 1.066 ' N ' ' O ' ' A' ' 22' ' ' ARG . 22.9 t70 -172.35 -111.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 0.718 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 1.358 ' HA ' ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -160.89 142.05 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.007 ' HB2' HG23 ' A' ' 19' ' ' ILE . 6.8 mmm -95.6 -77.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.144 ' CB ' HG22 ' A' ' 18' ' ' THR . 8.2 m-20 -151.07 -119.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.234 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 1.011 ' C ' ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -170.67 110.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.355 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 1.618 ' CD1' ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -111.42 152.66 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.178 . . . . 0.0 110.995 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.406 ' HB3' ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -40.11 -98.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.383 1.052 . . . . 0.0 108.243 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 1.036 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER 100.38 -27.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.347 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.763 ' C ' ' HG3' ' A' ' 6' ' ' PRO . . . 115.51 19.89 5.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.878 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -110.67 -81.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.579 ' O ' ' CB ' ' A' ' 37' ' ' CYS . 45.4 p -146.12 -26.64 0.43 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.606 1.191 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.007 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER 94.44 31.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.346 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.881 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 58.9 t0 -113.82 58.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.621 1.201 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.299 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER 83.5 25.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.016 ' HG2' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.02 62.94 5.97 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.618 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 6.1 ttm-85 -178.09 47.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 1.156 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.0 OUTLIER -120.58 54.5 3.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.748 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.98 50.68 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.442 1.759 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 1.607 ' CD2' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -103.88 -138.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.938 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -22.19 -73.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.096 ' H ' ' HD3' ' A' ' 47' ' ' PRO . . . -155.4 20.4 0.54 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.096 ' HD3' ' H ' ' A' ' 46' ' ' GLY . 18.1 Cg_endo -74.99 -160.98 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.857 ' H ' ' CG ' ' A' ' 42' ' ' ASN . . . 126.86 121.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.712 ' C ' ' HA ' ' A' ' 40' ' ' PRO . 1.9 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.465 179.961 . . . . . . . . 1 1 . 1 stop_ save_