data_1qmw_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 1qmw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -31.5 6.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.69 47.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.3 m -74.51 -29.72 61.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.237 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.68 -105.72 0.17 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.584 1.177 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.07 4.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -114.92 -3.57 12.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -65.59 115.95 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.99 74.72 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.029 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.34 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.66 6.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.8 -9.91 48.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.5 m -74.24 -29.74 61.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.51 -105.65 0.16 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.05 4.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.617 1.851 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -3.73 12.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.29 115.95 6.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.98 74.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.056 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 108.324 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -31.55 6.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.85 48.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.19 -29.83 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.6 -105.68 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.98 4.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -115.02 -3.62 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -65.25 116.13 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.04 75.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.351 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.63 6.05 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.485 1.782 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -9.71 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.3 m -74.49 -29.55 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -105.39 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.06 4.21 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttt -115.14 -3.77 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.15 116.04 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.03 75.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 108.289 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -31.5 6.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -9.66 47.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.1 m -74.66 -29.28 61.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.68 -105.2 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 5.08 4.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttm -115.05 -3.95 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -65.37 116.09 6.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.03 74.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.342 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.509 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.61 5.99 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.36 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.509 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.4 m -74.09 -30.41 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.76 -105.38 0.15 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -115.23 -3.91 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 4.7 t80 -63.84 115.59 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.13 74.92 1.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.418 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.54 3.78 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.429 1.752 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.27 -18.14 65.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' LYS . 47.6 m -67.79 -30.96 70.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.39 -105.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 5.78 3.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.509 1.794 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' CYS . 4.9 ttmt -112.66 -7.42 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -67.21 116.34 7.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.55 67.9 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 4.1 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.55 6.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.68 46.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.7 m -74.46 -29.85 61.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.09 -105.91 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.07 4.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -114.78 -3.49 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -65.7 115.99 6.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.04 74.84 1.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.417 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.39 6.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.83 48.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.1 m -74.69 -29.62 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.11 -105.82 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 5.09 4.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -114.75 -3.57 12.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.56 116.27 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.05 75.16 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.53 6.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.584 1.834 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.58 47.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.59 -29.5 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 108.29 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.77 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -115.06 -3.83 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -65.42 116.04 6.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.02 74.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 108.25 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.11 -9.66 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.1 m -74.73 -29.29 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.84 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.05 4.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -115.05 -3.92 12.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.29 116.03 6.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.06 74.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.183 . . . . 0.0 109.983 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 108.328 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.397 1.735 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.0 -18.43 65.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.7 m -68.32 -31.1 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.19 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.83 3.77 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 tttt -112.41 -7.02 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -68.6 117.25 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.3 64.9 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 3.5 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -31.41 6.19 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.46 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.0 m -74.91 -29.81 61.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 108.251 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.46 -106.54 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.96 4.98 4.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -3.33 13.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -66.35 116.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.09 73.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -32.15 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.71 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.9 m -72.48 -31.19 65.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.01 -106.32 0.33 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 5.23 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.437 1.756 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -4.48 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 5.4 t80 -64.25 115.06 4.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.445 1.09 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.18 74.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.0 t . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.511 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -32.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -9.83 46.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.511 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.0 m -72.4 -31.13 65.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.06 -106.25 0.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.98 5.1 4.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -114.34 -4.7 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.28 114.89 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.43 75.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 108.263 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.514 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.34 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.832 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.53 -9.86 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.6 m -72.28 -31.08 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 108.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.57 -106.18 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 5.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -114.47 -4.45 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.09 114.98 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.22 74.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.75 3.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.35 -15.97 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.1 m -71.54 -30.92 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 108.259 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.27 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.1 ttmm -112.37 -6.61 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.28 116.55 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.34 67.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.513 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.73 5.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -9.52 45.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.513 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 45.0 m -73.1 -30.83 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 108.278 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.16 -106.33 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 5.14 4.16 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.19 -4.52 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.66 115.15 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 75.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.42 3.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.94 65.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . 52.4 m -67.93 -30.84 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.24 -105.14 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.75 3.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.396 1.735 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 21.8 tttt -113.07 -7.91 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.29 117.86 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.2 64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 3.1 t . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD2' ' ND2' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.98 -33.81 4.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -9.78 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.7 m -75.5 -31.0 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -105.03 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 5.67 3.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 ttmt -112.97 -5.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -69.12 116.22 9.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.53 65.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.66 8.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -14.53 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' LYS . 58.1 m -81.74 -27.47 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.295 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.91 -104.84 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 5.48 4.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -112.97 -1.02 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -74.09 117.28 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.85 73.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.326 179.98 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.36 10.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -13.92 62.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' LYS . 65.3 m -79.7 -26.35 40.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.98 -104.53 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -75.0 5.19 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -113.31 -0.82 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.5 118.14 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.44 77.53 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.342 179.985 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.519 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.5 t30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.91 4.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.81 -9.05 41.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.519 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 47.1 m -73.32 -32.11 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.258 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -104.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.0 5.64 3.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -113.92 -6.57 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.373 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.36 115.75 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.66 66.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 108.278 179.999 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 2.8 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.33 10.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.569 1.826 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -11.2 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' LYS . 56.9 m -81.76 -26.24 34.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.62 -104.84 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.462 1.102 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.62 4.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 ttmt -115.04 1.78 14.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.6 1.187 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -71.88 120.08 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.87 75.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.937 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.14 10.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.19 67.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 82.7 m -66.73 -28.18 68.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.26 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.76 -3.12 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -65.81 124.12 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.17 77.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 108.338 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD2' ' ND2' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.92 -30.96 6.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -9.7 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 39.5 m -74.62 -29.57 61.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.37 -105.97 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.35 4.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -115.4 -2.13 12.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.65 115.65 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.97 84.91 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.292 179.971 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.61 10.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.19 67.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.603 1.189 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 77.8 m -67.25 -28.14 67.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.32 -104.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.0 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.57 -4.03 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -64.54 123.38 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.26 78.72 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.958 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.996 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.22 9.33 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.05 -19.1 64.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 59.1 m -73.01 -31.45 64.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 9' ' ' PRO . . . 52.64 -106.62 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -74.98 5.52 3.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -4.14 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -66.03 120.5 13.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.97 76.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 6.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.42 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -33.82 4.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -14.88 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.4 m -65.17 -33.65 76.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.398 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.18 -106.37 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.87 -5.83 12.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -61.0 116.16 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.07 64.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 -179.99 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -14.21 59.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 45.5 m -65.71 -33.88 76.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.72 -106.61 0.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 5.26 4.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -115.53 -6.18 12.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.54 115.8 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.1 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.934 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -32.86 5.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.81 . . . . 0.0 111.01 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.59 -12.26 51.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 47.3 m -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.33 -106.33 0.28 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.1 5.31 4.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -115.68 -5.25 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -61.94 116.76 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.98 64.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 -179.953 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 11.2 m-80 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.72 11.63 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.439 1.757 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.1 -10.25 48.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 4' ' ' ASN . 58.9 m -81.76 -27.46 33.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.348 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.4 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.94 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -116.01 0.63 13.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 3.7 t80 -68.82 121.36 16.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.52 66.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 179.96 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -34.89 3.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.95 -14.03 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.0 m -73.44 -33.75 65.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.24 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -104.92 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 5.91 3.71 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -114.31 -6.68 12.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.39 117.26 8.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.84 62.73 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.989 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 108.212 -179.966 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.419 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 2.9 m120 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -26.94 10.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.48 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 57.3 m -79.85 -26.95 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -103.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.402 1.064 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 3.89 5.23 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 7' ' ' CYS . 8.6 ttmt -118.44 0.81 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 9.0 t80 -61.23 119.82 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.055 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.19 114.33 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.961 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -30.44 7.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.88 -9.95 49.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 46.6 m -73.54 -30.29 62.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.249 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.45 -103.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 4.6 4.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -118.88 -1.39 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.03 119.23 7.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.05 125.34 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 -179.99 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.429 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.43 2.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -12.42 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.8 m -74.16 -32.56 63.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.44 -105.37 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.82 3.73 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -112.99 -7.39 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -70.89 116.1 10.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.99 60.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.548 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 4.6 pt . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -160.07 111.71 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 108.389 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -95.47 66.6 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.256 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -154.57 150.99 22.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.262 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -31.5 6.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.69 47.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.3 m -74.51 -29.72 61.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.237 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.68 -105.72 0.17 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.584 1.177 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.07 4.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -114.92 -3.57 12.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -65.59 115.95 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.548 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -142.99 74.72 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.029 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.3 t -148.72 62.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.34 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.548 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 4.2 pt . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -161.15 111.82 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 108.331 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -95.72 66.67 2.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -154.64 151.14 22.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.66 6.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.8 -9.91 48.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.5 m -74.24 -29.74 61.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.51 -105.65 0.16 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.05 4.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.617 1.851 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -3.73 12.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.29 115.95 6.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.548 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.98 74.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.056 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 t -148.92 64.88 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 108.324 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.549 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 3.0 pt . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -161.89 111.14 1.51 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -95.43 66.68 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 108.332 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -154.41 150.96 22.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -31.55 6.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.85 48.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.19 -29.83 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.6 -105.68 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.98 4.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -115.02 -3.62 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -65.25 116.13 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.549 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.04 75.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 t -148.89 63.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.351 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.545 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 2.8 pt . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -162.39 111.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.58 66.57 2.77 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.516 1.135 . . . . 0.0 108.331 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -154.23 151.01 23.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.388 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.63 6.05 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.485 1.782 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -9.71 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.3 m -74.49 -29.55 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -105.39 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.06 4.21 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttt -115.14 -3.77 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.15 116.04 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.545 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.03 75.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -149.01 62.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 108.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.536 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -161.12 111.73 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.69 66.73 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 108.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -154.52 151.05 22.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -31.5 6.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -9.66 47.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.1 m -74.66 -29.28 61.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.68 -105.2 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 5.08 4.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttm -115.05 -3.95 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -65.37 116.09 6.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.536 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.03 74.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t -148.87 64.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.342 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.533 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -160.43 110.61 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 108.254 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.3 t -94.88 66.61 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.509 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -154.6 151.05 22.85 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.61 5.99 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.36 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.509 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.4 m -74.09 -30.41 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.76 -105.38 0.15 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -115.23 -3.91 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 4.7 t80 -63.84 115.59 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.533 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -143.13 74.92 1.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -148.96 63.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.437 ' CD1' ' C ' ' A' ' 1' ' ' ILE . 2.5 pp . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.7 t -149.46 162.54 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 108.247 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 2.0 t -138.74 68.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.418 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -165.13 157.76 13.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.54 3.78 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.429 1.752 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.27 -18.14 65.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' LYS . 47.6 m -67.79 -30.96 70.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.39 -105.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 5.78 3.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.509 1.794 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' CYS . 4.9 ttmt -112.66 -7.42 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -67.21 116.34 7.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -152.55 67.9 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 110.012 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 4.1 t -148.96 67.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 108.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.553 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 4.0 pt . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -159.6 111.82 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.599 1.187 . . . . 0.0 108.261 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.5 66.53 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.383 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -154.62 150.92 22.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.55 6.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.68 46.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.7 m -74.46 -29.85 61.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.09 -105.91 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.07 4.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -114.78 -3.49 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -65.7 115.99 6.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.553 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -143.04 74.84 1.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 t -148.83 -47.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.417 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.546 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 3.7 pt . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -160.37 111.39 1.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 108.258 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -95.16 66.45 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 -154.38 150.57 22.34 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.39 6.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.83 48.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.1 m -74.69 -29.62 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.11 -105.82 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 5.09 4.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -114.75 -3.57 12.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.56 116.27 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.546 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -143.05 75.16 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 t -148.91 -47.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.545 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -161.18 111.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 108.306 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 t -95.81 66.72 2.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -154.49 151.1 23.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.53 6.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.584 1.834 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.58 47.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.59 -29.5 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 108.29 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.77 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -115.06 -3.83 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -65.42 116.04 6.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.545 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.02 74.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 t -148.9 -47.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 108.25 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.542 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -161.95 111.63 1.54 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.587 1.179 . . . . 0.0 108.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.55 66.55 2.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 0.0 108.313 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -154.4 150.98 23.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.11 -9.66 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.1 m -74.73 -29.29 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.84 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.05 4.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -115.05 -3.92 12.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.29 116.03 6.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.542 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.06 74.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.183 . . . . 0.0 109.983 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t -148.89 -46.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 108.328 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 12' ' ' SER . 2.8 pp . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 t -139.15 164.59 29.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.601 1.188 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.01 67.67 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -165.04 157.99 14.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.397 1.735 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.0 -18.43 65.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.7 m -68.32 -31.1 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.19 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.83 3.77 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 tttt -112.41 -7.02 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -68.6 117.25 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -152.3 64.9 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 3.5 t -148.91 68.17 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 108.326 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.55 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 2.6 pt . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -141.84 114.53 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.591 1.182 . . . . 0.0 108.32 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -95.15 66.57 2.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -156.45 150.32 19.44 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -31.41 6.19 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.46 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.0 m -74.91 -29.81 61.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 108.251 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.46 -106.54 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.96 4.98 4.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -3.33 13.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -66.35 116.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.55 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -143.09 73.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -148.9 -47.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.565 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 5.1 pt . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.5 t -155.5 117.92 4.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 t -98.74 68.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -159.93 151.82 16.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -32.15 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.71 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.9 m -72.48 -31.19 65.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.01 -106.32 0.33 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 5.23 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.437 1.756 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -4.48 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 5.4 t80 -64.25 115.06 4.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.445 1.09 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.565 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -147.18 74.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.0 t -149.0 -47.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.564 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 3.9 pt . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -159.34 115.5 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -97.45 68.44 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.511 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -158.92 151.35 17.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -32.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -9.83 46.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.511 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.0 m -72.4 -31.13 65.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.06 -106.25 0.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.98 5.1 4.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -114.34 -4.7 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.28 114.89 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.564 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -146.43 75.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 t -149.01 -47.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 108.263 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.567 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 4.8 pt . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.4 t -155.42 117.57 4.14 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 t -98.44 68.69 1.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 108.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.514 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -159.76 151.99 17.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.34 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.832 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.53 -9.86 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.6 m -72.28 -31.08 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 108.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.57 -106.18 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 5.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -114.47 -4.45 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.09 114.98 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.567 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -147.22 74.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 t -148.94 -47.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 8.6 pt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 t -142.03 168.2 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 108.292 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -142.99 66.57 1.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 108.334 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.07 159.05 14.53 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.597 1.186 . . . . 0.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.75 3.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.35 -15.97 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.1 m -71.54 -30.92 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 108.259 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.27 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.1 ttmm -112.37 -6.61 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.28 116.55 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.479 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -153.34 67.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -146.04 -47.05 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.554 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 1.6 pt . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -154.75 115.31 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.344 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 t -96.42 67.93 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.513 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 -158.64 150.91 17.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.73 5.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -9.52 45.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.513 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 45.0 m -73.1 -30.83 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 108.278 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.16 -106.33 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 5.14 4.16 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.19 -4.52 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.66 115.15 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.554 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -146.52 75.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 t -149.01 -47.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 12' ' ' SER . 9.6 pt . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.6 t -142.37 162.75 34.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 108.255 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 t -137.94 67.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.268 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -165.19 157.13 13.25 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.42 3.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.94 65.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . 52.4 m -67.93 -30.84 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.24 -105.14 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.75 3.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.396 1.735 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 21.8 tttt -113.07 -7.91 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.29 117.86 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -153.2 64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 3.1 t -149.11 68.46 1.05 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' A' ' 12' ' ' SER . 11.7 pt . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.0 t -141.91 129.25 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 108.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 t -107.65 71.69 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.107 . . . . 0.0 108.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t30 -163.28 155.76 15.74 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD2' ' ND2' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.98 -33.81 4.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -9.78 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.7 m -75.5 -31.0 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -105.03 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 5.67 3.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 ttmt -112.97 -5.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -69.12 116.22 9.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -148.53 65.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -148.88 -47.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.55 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 1.7 pp . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HB2' ' CE ' ' A' ' 10' ' ' LYS . 11.2 t -149.38 168.11 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.36 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 4.4 t -145.29 65.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 108.333 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -165.46 156.48 12.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.66 8.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -14.53 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' LYS . 58.1 m -81.74 -27.47 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.295 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.91 -104.84 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 5.48 4.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -112.97 -1.02 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -74.09 117.28 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.55 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -147.85 73.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 1.9 t -149.01 -46.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.597 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 1.6 pt . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.451 ' SG ' ' ND2' ' A' ' 4' ' ' ASN . 1.7 t -141.12 161.31 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.613 1.196 . . . . 0.0 108.345 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 4.7 t -134.94 54.02 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.451 ' ND2' ' SG ' ' A' ' 2' ' ' CYS . 1.5 m-20 -143.92 150.66 50.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.36 10.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -13.92 62.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' LYS . 65.3 m -79.7 -26.35 40.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.98 -104.53 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -75.0 5.19 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -113.31 -0.82 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.5 118.14 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.597 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -143.44 77.53 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 6.5 t -149.18 -47.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.342 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 12' ' ' SER . 2.1 pt . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 t -144.72 129.27 18.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.346 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 2.6 t -107.76 72.27 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 108.329 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.5 t30 -165.09 156.07 12.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.91 4.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.81 -9.05 41.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.519 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 47.1 m -73.32 -32.11 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.258 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -104.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.0 5.64 3.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -113.92 -6.57 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.373 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.36 115.75 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -151.66 66.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 6.1 t -149.12 -47.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.548 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 1.2 pt . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.1 t -161.35 116.39 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 t -99.66 69.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 108.369 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 2.8 m120 -161.57 149.09 11.94 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.33 10.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.569 1.826 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -11.2 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' LYS . 56.9 m -81.76 -26.24 34.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.62 -104.84 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.462 1.102 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.62 4.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 ttmt -115.04 1.78 14.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.6 1.187 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -71.88 120.08 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.548 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.87 75.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.937 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 t -149.0 -47.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.636 1.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.62 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 4.9 pt . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.4 p -146.95 123.38 11.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -92.7 63.07 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 108.262 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -137.79 145.8 50.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.14 10.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.19 67.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 82.7 m -66.73 -28.18 68.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.26 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.76 -3.12 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -65.81 124.12 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.62 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.17 77.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t -149.13 66.95 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 108.338 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.545 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 2.3 pt . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.1 t -161.69 105.81 1.25 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.527 1.142 . . . . 0.0 108.276 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.6 64.42 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.345 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -151.51 149.56 24.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD2' ' ND2' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.92 -30.96 6.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -9.7 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 39.5 m -74.62 -29.57 61.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.37 -105.97 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.35 4.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -115.4 -2.13 12.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.65 115.65 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.545 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -142.97 84.91 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.972 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -149.2 -78.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.292 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.626 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 3.8 pt . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.0 p -147.27 124.37 11.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 108.334 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.36 63.48 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -139.29 146.4 48.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.61 10.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.19 67.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.603 1.189 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 77.8 m -67.25 -28.14 67.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.32 -104.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.0 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.57 -4.03 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -64.54 123.38 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.626 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.26 78.72 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.958 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t -149.28 -47.11 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.626 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 1.3 pt . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.472 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -139.16 166.27 24.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t -135.6 58.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.46 150.81 55.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.22 9.33 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.05 -19.1 64.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 59.1 m -73.01 -31.45 64.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 9' ' ' PRO . . . 52.64 -106.62 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -74.98 5.52 3.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -113.15 -4.14 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -66.03 120.5 13.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.626 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.97 76.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 6.2 t -149.41 67.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.586 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.5 t -101.99 149.81 23.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.292 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 t -132.14 68.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 108.249 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -165.03 155.92 12.62 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.406 1.066 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -33.82 4.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -14.88 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.4 m -65.17 -33.65 76.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.398 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.18 -106.37 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.87 -5.83 12.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -61.0 116.16 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.586 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -143.07 64.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.7 t -149.22 60.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.591 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.6 t -101.92 150.33 23.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -132.62 68.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.337 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 m-20 -165.11 155.87 12.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -14.21 59.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 45.5 m -65.71 -33.88 76.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.72 -106.61 0.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 5.26 4.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -115.53 -6.18 12.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.54 115.8 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.591 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -143.1 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -149.18 63.42 1.03 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.592 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.4 t -101.97 150.78 22.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 108.298 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.03 68.43 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -165.31 155.36 11.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -32.86 5.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.81 . . . . 0.0 111.01 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.59 -12.26 51.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 47.3 m -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.33 -106.33 0.28 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.1 5.31 4.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -115.68 -5.25 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -61.94 116.76 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.592 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -142.98 64.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.9 t -149.19 -47.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.595 ' CG2' ' HB3' ' A' ' 12' ' ' SER . 1.2 pt . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.2 t -101.95 152.89 20.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.44 ' C ' ' ND2' ' A' ' 4' ' ' ASN . 6.6 t -135.15 64.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 108.275 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 3' ' ' CYS . 11.2 m-80 -163.96 152.18 11.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.72 11.63 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.439 1.757 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.1 -10.25 48.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 4' ' ' ASN . 58.9 m -81.76 -27.46 33.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.348 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.4 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.94 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -116.01 0.63 13.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 3.7 t80 -68.82 121.36 16.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.595 ' HB3' ' CG2' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -142.52 66.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.9 t -149.2 57.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' ' 12' ' ' SER . 1.7 pt . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t -102.85 167.45 9.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 108.307 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 6.0 t -151.05 68.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.357 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -165.32 160.36 14.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -34.89 3.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.95 -14.03 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.0 m -73.44 -33.75 65.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.24 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -104.92 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 5.91 3.71 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -114.31 -6.68 12.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.39 117.26 8.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.526 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.5 OUTLIER -142.84 62.73 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.989 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 5.9 t -149.52 67.37 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 108.212 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.571 ' HB ' ' O ' ' A' ' 12' ' ' SER . 1.4 pt . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' SER . 10.8 t -148.1 94.71 2.36 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.482 1.114 . . . . 0.0 108.246 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.32 65.65 8.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.419 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 2.9 m120 -153.6 145.37 16.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -26.94 10.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.48 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 57.3 m -79.85 -26.95 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -103.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.402 1.064 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 3.89 5.23 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 7' ' ' CYS . 8.6 ttmt -118.44 0.81 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 9.0 t80 -61.23 119.82 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.055 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -143.19 114.33 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.02 -41.05 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.538 ' HB ' ' O ' ' A' ' 12' ' ' SER . 7.0 pt . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' SER . 10.9 t -138.92 97.3 3.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.4 65.5 8.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 108.29 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -152.29 147.62 19.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -30.44 7.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.88 -9.95 49.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 46.6 m -73.54 -30.29 62.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.249 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.45 -103.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 4.6 4.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -118.88 -1.39 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.03 119.23 7.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.538 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -154.05 125.34 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.28 37.35 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.555 ' HB ' ' O ' ' A' ' 12' ' ' SER . 1.1 pt . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.5 t -102.69 172.01 7.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.1 . . . . 0.0 108.271 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 6.8 t -149.89 61.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t30 -160.1 161.37 26.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.43 2.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -12.42 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.8 m -74.16 -32.56 63.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.44 -105.37 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.82 3.73 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -112.99 -7.39 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -70.89 116.1 10.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.555 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -142.99 60.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -149.36 -46.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.98 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -31.5 6.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.69 47.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.3 m -74.51 -29.72 61.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.237 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.68 -105.72 0.17 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.584 1.177 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.07 4.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -114.92 -3.57 12.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -65.59 115.95 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.99 74.72 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.029 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.34 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.66 6.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.8 -9.91 48.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.5 m -74.24 -29.74 61.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.51 -105.65 0.16 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.05 4.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.617 1.851 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -3.73 12.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.29 115.95 6.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.98 74.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.056 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 108.324 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -31.55 6.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.85 48.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.19 -29.83 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.6 -105.68 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.98 4.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -115.02 -3.62 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -65.25 116.13 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.04 75.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.351 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.63 6.05 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.485 1.782 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -9.71 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.3 m -74.49 -29.55 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -105.39 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.06 4.21 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttt -115.14 -3.77 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.15 116.04 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.03 75.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 108.289 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -31.5 6.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -9.66 47.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.1 m -74.66 -29.28 61.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.68 -105.2 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 5.08 4.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttm -115.05 -3.95 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -65.37 116.09 6.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.03 74.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.342 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.509 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.61 5.99 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.36 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.509 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.4 m -74.09 -30.41 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.76 -105.38 0.15 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -115.23 -3.91 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 4.7 t80 -63.84 115.59 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.13 74.92 1.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.418 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.54 3.78 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.429 1.752 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.27 -18.14 65.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' LYS . 47.6 m -67.79 -30.96 70.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.39 -105.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 5.78 3.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.509 1.794 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' CYS . 4.9 ttmt -112.66 -7.42 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -67.21 116.34 7.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.55 67.9 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 4.1 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.55 6.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.68 46.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.7 m -74.46 -29.85 61.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.09 -105.91 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.07 4.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -114.78 -3.49 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -65.7 115.99 6.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.04 74.84 1.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.417 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.39 6.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.83 48.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.1 m -74.69 -29.62 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.11 -105.82 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 5.09 4.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -114.75 -3.57 12.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.56 116.27 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.05 75.16 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.53 6.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.584 1.834 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.58 47.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.59 -29.5 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 108.29 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.77 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -115.06 -3.83 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -65.42 116.04 6.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.02 74.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 108.25 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.11 -9.66 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.1 m -74.73 -29.29 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.84 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.05 4.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -115.05 -3.92 12.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.29 116.03 6.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.06 74.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.183 . . . . 0.0 109.983 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 108.328 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.397 1.735 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.0 -18.43 65.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.7 m -68.32 -31.1 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.19 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.83 3.77 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 tttt -112.41 -7.02 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -68.6 117.25 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.3 64.9 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 3.5 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -31.41 6.19 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.46 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.0 m -74.91 -29.81 61.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 108.251 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.46 -106.54 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.96 4.98 4.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -3.33 13.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -66.35 116.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.09 73.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -32.15 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.71 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.9 m -72.48 -31.19 65.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.01 -106.32 0.33 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 5.23 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.437 1.756 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -4.48 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 5.4 t80 -64.25 115.06 4.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.445 1.09 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.18 74.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.0 t . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.511 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -32.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -9.83 46.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.511 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.0 m -72.4 -31.13 65.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.06 -106.25 0.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.98 5.1 4.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -114.34 -4.7 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.28 114.89 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.43 75.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 108.263 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.514 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.34 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.832 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.53 -9.86 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.6 m -72.28 -31.08 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 108.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.57 -106.18 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 5.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -114.47 -4.45 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.09 114.98 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.22 74.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.75 3.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.35 -15.97 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.1 m -71.54 -30.92 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 108.259 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.27 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.1 ttmm -112.37 -6.61 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.28 116.55 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.34 67.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.513 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.73 5.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -9.52 45.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.513 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 45.0 m -73.1 -30.83 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 108.278 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.16 -106.33 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 5.14 4.16 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.19 -4.52 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.66 115.15 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 75.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.42 3.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.94 65.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . 52.4 m -67.93 -30.84 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.24 -105.14 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.75 3.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.396 1.735 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 21.8 tttt -113.07 -7.91 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.29 117.86 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.2 64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 3.1 t . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD2' ' ND2' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.98 -33.81 4.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -9.78 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.7 m -75.5 -31.0 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -105.03 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 5.67 3.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 ttmt -112.97 -5.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -69.12 116.22 9.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.53 65.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 4.9 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.66 8.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -14.53 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' LYS . 58.1 m -81.74 -27.47 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.295 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.91 -104.84 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 5.48 4.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -112.97 -1.02 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -74.09 117.28 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.85 73.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.326 179.98 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.36 10.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -13.92 62.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' LYS . 65.3 m -79.7 -26.35 40.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.98 -104.53 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -75.0 5.19 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -113.31 -0.82 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.5 118.14 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.44 77.53 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.342 179.985 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.52 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 1.5 t30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.91 4.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.81 -9.05 41.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.52 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 47.1 m -73.32 -32.11 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.258 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -104.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.0 5.64 3.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -113.92 -6.57 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.373 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.36 115.75 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.66 66.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 108.278 179.999 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 16.5 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.33 10.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.569 1.826 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -11.2 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' LYS . 56.9 m -81.76 -26.24 34.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.62 -104.84 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.462 1.102 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.62 4.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 ttmt -115.04 1.78 14.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.6 1.187 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -71.88 120.08 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.87 75.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.937 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.14 10.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.19 67.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 82.7 m -66.73 -28.18 68.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.26 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.76 -3.12 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -65.81 124.12 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.17 77.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 108.338 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -30.96 6.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -9.7 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 39.5 m -74.62 -29.57 61.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.37 -105.97 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.35 4.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -115.4 -2.13 12.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.65 115.65 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.97 84.91 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.292 179.971 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.61 10.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.19 67.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.603 1.189 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 77.8 m -67.25 -28.14 67.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.32 -104.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.0 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.57 -4.03 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -64.54 123.38 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.26 78.72 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.958 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.996 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.22 9.33 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.05 -19.1 64.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 59.1 m -73.01 -31.45 64.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 9' ' ' PRO . . . 52.64 -106.62 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -74.98 5.52 3.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -4.14 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -66.03 120.5 13.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.97 76.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 6.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.543 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -33.82 4.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -14.88 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 44.4 m -65.17 -33.65 76.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.398 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.18 -106.37 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.87 -5.83 12.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -61.0 116.16 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.07 64.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 -179.99 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.545 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -14.21 59.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.545 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 45.5 m -65.71 -33.88 76.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.72 -106.61 0.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.93 5.26 4.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -115.53 -6.18 12.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.54 115.8 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.1 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.934 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.484 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 1.3 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -32.86 5.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.81 . . . . 0.0 111.01 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.59 -12.26 51.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.484 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 47.3 m -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.33 -106.33 0.28 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.1 5.31 4.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -115.68 -5.25 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -61.94 116.76 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.98 64.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 -179.953 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 11.2 m-80 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.72 11.63 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.439 1.757 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.1 -10.25 48.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 4' ' ' ASN . 58.9 m -81.76 -27.46 33.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.348 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.4 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.94 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -116.01 0.63 13.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 3.7 t80 -68.82 121.36 16.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.52 66.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 179.96 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 1.1 t30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -34.89 3.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.95 -14.03 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 48.0 m -73.44 -33.75 65.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.24 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -104.92 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 5.91 3.71 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -114.31 -6.68 12.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.39 117.26 8.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.84 62.73 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.989 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 108.212 -179.966 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.419 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.2 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -26.94 10.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.481 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 57.3 m -79.85 -26.95 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -103.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.402 1.064 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 3.89 5.23 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 7' ' ' CYS . 8.6 ttmt -118.44 0.81 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 9.0 t80 -61.23 119.82 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.055 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.19 114.33 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.961 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -30.44 7.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.88 -9.95 49.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 46.6 m -73.54 -30.29 62.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.249 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.45 -103.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 4.6 4.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -118.88 -1.39 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.03 119.23 7.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.05 125.34 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 -179.99 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.429 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.43 2.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -12.42 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.8 m -74.16 -32.56 63.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.44 -105.37 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.82 3.73 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -112.99 -7.39 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -70.89 116.1 10.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.99 60.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.939 HG22 ' HB3' ' A' ' 12' ' ' SER . 4.6 pt . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -160.07 111.71 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 108.389 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -95.47 66.6 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.256 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -154.57 150.99 22.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.262 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -31.5 6.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.69 47.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.3 m -74.51 -29.72 61.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.237 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.68 -105.72 0.17 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.584 1.177 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.07 4.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -114.92 -3.57 12.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -65.59 115.95 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.939 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -142.99 74.72 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.029 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.3 t -148.72 62.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.34 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.928 HG22 ' HB3' ' A' ' 12' ' ' SER . 4.2 pt . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -161.15 111.82 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 108.331 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -95.72 66.67 2.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -154.64 151.14 22.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.66 6.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.8 -9.91 48.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.5 m -74.24 -29.74 61.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.51 -105.65 0.16 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.05 4.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.617 1.851 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -3.73 12.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.29 115.95 6.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.928 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.98 74.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.056 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 t -148.92 64.88 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 108.324 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.933 HG22 ' HB3' ' A' ' 12' ' ' SER . 3.0 pt . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -161.89 111.14 1.51 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -95.43 66.68 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 108.332 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -154.41 150.96 22.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -31.55 6.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.85 48.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.19 -29.83 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.6 -105.68 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.98 4.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -115.02 -3.62 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -65.25 116.13 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.933 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.04 75.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 t -148.89 63.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.351 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.931 HG22 ' HB3' ' A' ' 12' ' ' SER . 2.8 pt . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -162.39 111.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.58 66.57 2.77 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.516 1.135 . . . . 0.0 108.331 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -154.23 151.01 23.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.388 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.63 6.05 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.485 1.782 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -9.71 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.3 m -74.49 -29.55 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -105.39 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.06 4.21 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttt -115.14 -3.77 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.15 116.04 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.931 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.03 75.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -149.01 62.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 108.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.915 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -161.12 111.73 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.69 66.73 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 108.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -154.52 151.05 22.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -31.5 6.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -9.66 47.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.1 m -74.66 -29.28 61.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.68 -105.2 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 5.08 4.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttm -115.05 -3.95 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -65.37 116.09 6.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.915 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.03 74.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t -148.87 64.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.342 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.871 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -160.43 110.61 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 108.254 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.3 t -94.88 66.61 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.509 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -154.6 151.05 22.85 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.61 5.99 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.36 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.509 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.4 m -74.09 -30.41 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.76 -105.38 0.15 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -115.23 -3.91 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 4.7 t80 -63.84 115.59 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.871 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -143.13 74.92 1.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -148.96 63.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.752 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.5 pp . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.7 t -149.46 162.54 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 108.247 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 2.0 t -138.74 68.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.418 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -165.13 157.76 13.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.54 3.78 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.429 1.752 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.27 -18.14 65.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' LYS . 47.6 m -67.79 -30.96 70.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.39 -105.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 5.78 3.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.509 1.794 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' CYS . 4.9 ttmt -112.66 -7.42 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -67.21 116.34 7.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.691 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -152.55 67.9 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 110.012 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 4.1 t -148.96 67.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 108.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.933 HG22 ' HB3' ' A' ' 12' ' ' SER . 4.0 pt . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -159.6 111.82 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.599 1.187 . . . . 0.0 108.261 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.5 66.53 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.383 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -154.62 150.92 22.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.55 6.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.68 46.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.7 m -74.46 -29.85 61.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.09 -105.91 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.07 4.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -114.78 -3.49 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -65.7 115.99 6.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.933 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -143.04 74.84 1.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 t -148.83 -47.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.417 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.919 HG22 ' HB3' ' A' ' 12' ' ' SER . 3.7 pt . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -160.37 111.39 1.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 108.258 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -95.16 66.45 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 -154.38 150.57 22.34 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.39 6.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.83 48.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.1 m -74.69 -29.62 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.11 -105.82 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 5.09 4.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -114.75 -3.57 12.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.56 116.27 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.919 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -143.05 75.16 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 t -148.91 -47.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.927 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -161.18 111.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 108.306 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 t -95.81 66.72 2.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -154.49 151.1 23.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.53 6.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.584 1.834 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.58 47.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.59 -29.5 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 108.29 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.77 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -115.06 -3.83 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -65.42 116.04 6.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.927 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.02 74.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 t -148.9 -47.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 108.25 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.93 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -161.95 111.63 1.54 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.587 1.179 . . . . 0.0 108.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.55 66.55 2.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 0.0 108.313 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -154.4 150.98 23.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.11 -9.66 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.1 m -74.73 -29.29 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.84 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.05 4.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -115.05 -3.92 12.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.29 116.03 6.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.93 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.06 74.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.183 . . . . 0.0 109.983 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t -148.89 -46.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 108.328 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.743 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 t -139.15 164.59 29.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.601 1.188 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.01 67.67 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -165.04 157.99 14.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.397 1.735 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.0 -18.43 65.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.7 m -68.32 -31.1 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.19 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.83 3.77 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 tttt -112.41 -7.02 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -68.6 117.25 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.514 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -152.3 64.9 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 3.5 t -148.91 68.17 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 108.326 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.887 HG22 ' HB3' ' A' ' 12' ' ' SER . 2.6 pt . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -141.84 114.53 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.591 1.182 . . . . 0.0 108.32 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -95.15 66.57 2.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -156.45 150.32 19.44 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -31.41 6.19 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.46 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.0 m -74.91 -29.81 61.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 108.251 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.46 -106.54 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.96 4.98 4.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -3.33 13.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -66.35 116.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.887 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -143.09 73.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -148.9 -47.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.941 HG22 ' HB3' ' A' ' 12' ' ' SER . 5.1 pt . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.5 t -155.5 117.92 4.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 t -98.74 68.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -159.93 151.82 16.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -32.15 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.71 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.9 m -72.48 -31.19 65.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.01 -106.32 0.33 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 5.23 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.437 1.756 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -4.48 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 5.4 t80 -64.25 115.06 4.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.445 1.09 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.941 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -147.18 74.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.0 t -149.0 -47.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.946 HG22 ' HB3' ' A' ' 12' ' ' SER . 3.9 pt . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -159.34 115.5 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -97.45 68.44 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.511 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -158.92 151.35 17.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -32.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -9.83 46.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.511 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.0 m -72.4 -31.13 65.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.06 -106.25 0.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.98 5.1 4.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -114.34 -4.7 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.28 114.89 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.946 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -146.43 75.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 t -149.01 -47.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 108.263 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.94 HG22 ' HB3' ' A' ' 12' ' ' SER . 4.8 pt . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.4 t -155.42 117.57 4.14 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 t -98.44 68.69 1.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 108.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.514 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -159.76 151.99 17.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.34 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.832 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.53 -9.86 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.6 m -72.28 -31.08 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 108.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.57 -106.18 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 5.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -114.47 -4.45 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.09 114.98 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.94 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -147.22 74.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 t -148.94 -47.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.834 HG22 ' HB3' ' A' ' 12' ' ' SER . 8.6 pt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 t -142.03 168.2 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 108.292 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -142.99 66.57 1.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 108.334 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -165.07 159.05 14.53 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.597 1.186 . . . . 0.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.75 3.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.35 -15.97 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.1 m -71.54 -30.92 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 108.259 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.27 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.1 ttmm -112.37 -6.61 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.28 116.55 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.834 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -153.34 67.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -146.04 -47.05 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.91 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.6 pt . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -154.75 115.31 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.344 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 t -96.42 67.93 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.513 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 -158.64 150.91 17.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.73 5.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -9.52 45.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.513 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 45.0 m -73.1 -30.83 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 108.278 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.16 -106.33 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 5.14 4.16 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.19 -4.52 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.66 115.15 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.91 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -146.52 75.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 t -149.01 -47.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 12' ' ' SER . 9.6 pt . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.6 t -142.37 162.75 34.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 108.255 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 t -137.94 67.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.268 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -165.19 157.13 13.25 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.42 3.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.94 65.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . 52.4 m -67.93 -30.84 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.24 -105.14 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.75 3.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.396 1.735 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 21.8 tttt -113.07 -7.91 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.29 117.86 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -153.2 64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 3.1 t -149.11 68.46 1.05 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 12' ' ' SER . 11.7 pt . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.0 t -141.91 129.25 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 108.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 t -107.65 71.69 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.107 . . . . 0.0 108.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -163.28 155.76 15.74 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.81 4.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -9.78 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.7 m -75.5 -31.0 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -105.03 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 5.67 3.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 ttmt -112.97 -5.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -69.12 116.22 9.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -148.53 65.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -148.88 -47.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.939 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.7 pp . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HB2' ' CE ' ' A' ' 10' ' ' LYS . 11.2 t -149.38 168.11 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.36 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 4.4 t -145.29 65.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 108.333 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 4.9 m120 -165.46 156.48 12.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.66 8.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -14.53 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' LYS . 58.1 m -81.74 -27.47 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.295 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.91 -104.84 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 5.48 4.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -112.97 -1.02 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -74.09 117.28 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.939 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -147.85 73.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 1.9 t -149.01 -46.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.948 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.6 pt . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.451 ' SG ' ' ND2' ' A' ' 4' ' ' ASN . 1.7 t -141.12 161.31 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.613 1.196 . . . . 0.0 108.345 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 4.7 t -134.94 54.02 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.451 ' ND2' ' SG ' ' A' ' 2' ' ' CYS . 1.5 m-20 -143.92 150.66 50.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.36 10.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -13.92 62.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' LYS . 65.3 m -79.7 -26.35 40.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.98 -104.53 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -75.0 5.19 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -113.31 -0.82 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.5 118.14 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.948 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -143.44 77.53 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 6.5 t -149.18 -47.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.342 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 12' ' ' SER . 2.1 pt . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 t -144.72 129.27 18.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.346 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 2.6 t -107.76 72.27 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 108.329 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.5 t30 -165.09 156.07 12.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.91 4.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.81 -9.05 41.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.519 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 47.1 m -73.32 -32.11 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.258 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -104.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.0 5.64 3.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -113.92 -6.57 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.373 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.36 115.75 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -151.66 66.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 6.1 t -149.12 -47.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.926 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.2 pt . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.1 t -161.35 116.39 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 t -99.66 69.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 108.369 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 16.5 m-20 -161.57 149.09 11.94 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.33 10.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.569 1.826 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -11.2 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' LYS . 56.9 m -81.76 -26.24 34.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.62 -104.84 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.462 1.102 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.62 4.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 ttmt -115.04 1.78 14.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.6 1.187 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' HH ' ' N ' ' A' ' 14' ' ' NH2 . 17.8 t80 -71.88 120.08 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.926 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.87 75.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.937 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 t -149.0 -47.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.514 ' N ' ' HH ' ' A' ' 11' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.636 1.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.021 HG22 ' HB3' ' A' ' 12' ' ' SER . 4.9 pt . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.4 p -146.95 123.38 11.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -92.7 63.07 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 108.262 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -137.79 145.8 50.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.14 10.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.19 67.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 82.7 m -66.73 -28.18 68.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.26 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.76 -3.12 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -65.81 124.12 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . 1.021 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.17 77.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t -149.13 66.95 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 108.338 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.896 HG22 ' HB3' ' A' ' 12' ' ' SER . 2.3 pt . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.1 t -161.69 105.81 1.25 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.527 1.142 . . . . 0.0 108.276 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.6 64.42 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.345 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -151.51 149.56 24.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -30.96 6.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -9.7 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 39.5 m -74.62 -29.57 61.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.37 -105.97 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.35 4.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -115.4 -2.13 12.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.65 115.65 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.896 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -142.97 84.91 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.972 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -149.2 -78.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.292 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.023 HG22 ' HB3' ' A' ' 12' ' ' SER . 3.8 pt . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.0 p -147.27 124.37 11.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 108.334 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.36 63.48 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -139.29 146.4 48.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.61 10.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.19 67.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.603 1.189 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 77.8 m -67.25 -28.14 67.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.32 -104.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.0 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.57 -4.03 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -64.54 123.38 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . 1.023 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.26 78.72 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.958 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t -149.28 -47.11 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.047 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.3 pt . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.474 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -139.16 166.27 24.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t -135.6 58.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.46 150.81 55.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.22 9.33 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.05 -19.1 64.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 59.1 m -73.01 -31.45 64.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 9' ' ' PRO . . . 52.64 -106.62 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -74.98 5.52 3.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' CE ' ' HB3' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -113.15 -4.14 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -66.03 120.5 13.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . 1.047 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.97 76.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 6.2 t -149.41 67.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.94 HG22 ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.5 t -101.99 149.81 23.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.292 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 t -132.14 68.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 108.249 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -165.03 155.92 12.62 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.406 1.066 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -33.82 4.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -14.88 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.4 m -65.17 -33.65 76.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.398 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.18 -106.37 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.87 -5.83 12.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -61.0 116.16 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.94 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -143.07 64.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.7 t -149.22 60.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.952 HG22 ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.6 t -101.92 150.33 23.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -132.62 68.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.337 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 m-20 -165.11 155.87 12.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -14.21 59.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 45.5 m -65.71 -33.88 76.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.72 -106.61 0.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.93 5.26 4.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -115.53 -6.18 12.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.54 115.8 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.952 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -143.1 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -149.18 63.42 1.03 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.956 HG22 ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.4 t -101.97 150.78 22.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 108.298 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.03 68.43 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -165.31 155.36 11.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -32.86 5.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.81 . . . . 0.0 111.01 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.59 -12.26 51.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 47.3 m -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.33 -106.33 0.28 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.1 5.31 4.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -115.68 -5.25 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' HH ' ' N ' ' A' ' 14' ' ' NH2 . 36.2 t80 -61.94 116.76 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.956 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -142.98 64.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.9 t -149.19 -47.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.473 ' N ' ' HH ' ' A' ' 11' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.938 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.2 pt . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.2 t -101.95 152.89 20.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 4' ' ' ASN . 6.6 t -135.15 64.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 108.275 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 9.8 m120 -163.96 152.18 11.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.72 11.63 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.439 1.757 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.1 -10.25 48.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 4' ' ' ASN . 58.9 m -81.76 -27.46 33.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.348 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.4 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.94 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -116.01 0.63 13.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 3.7 t80 -68.82 121.36 16.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.938 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -142.52 66.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . 44.9 t -149.2 57.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' ' 12' ' ' SER . 1.7 pt . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t -102.85 167.45 9.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 108.307 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 6.0 t -151.05 68.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.357 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -165.32 160.36 14.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -34.89 3.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.95 -14.03 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.0 m -73.44 -33.75 65.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.24 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -104.92 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 5.91 3.71 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -114.31 -6.68 12.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.39 117.26 8.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.526 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.5 OUTLIER -142.84 62.73 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.989 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 5.9 t -149.52 67.37 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 108.212 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.793 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.4 pt . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' SER . 10.8 t -148.1 94.71 2.36 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.482 1.114 . . . . 0.0 108.246 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.32 65.65 8.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.419 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.2 m-20 -153.6 145.37 16.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -26.94 10.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.481 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 57.3 m -79.85 -26.95 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -103.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.402 1.064 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 3.89 5.23 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 7' ' ' CYS . 8.6 ttmt -118.44 0.81 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 9.0 t80 -61.23 119.82 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.055 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.793 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -143.19 114.33 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.02 -41.05 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.539 ' HB ' ' O ' ' A' ' 12' ' ' SER . 7.0 pt . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' SER . 10.9 t -138.92 97.3 3.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.4 65.5 8.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 108.29 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -152.29 147.62 19.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -30.44 7.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.88 -9.95 49.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 46.6 m -73.54 -30.29 62.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.249 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.45 -103.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 4.6 4.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -118.88 -1.39 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.03 119.23 7.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.539 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -154.05 125.34 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.28 37.35 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' ' 12' ' ' SER . 1.1 pt . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.5 t -102.69 172.01 7.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.1 . . . . 0.0 108.271 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 6.8 t -149.89 61.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t30 -160.1 161.37 26.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.43 2.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -12.42 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.8 m -74.16 -32.56 63.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.44 -105.37 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.82 3.73 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -112.99 -7.39 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -70.89 116.1 10.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.554 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -142.99 60.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -149.36 -46.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.98 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -31.5 6.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.69 47.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.3 m -74.51 -29.72 61.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.237 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.68 -105.72 0.17 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.584 1.177 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.07 4.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -114.92 -3.57 12.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -65.59 115.95 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.99 74.72 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.029 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.34 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.66 6.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.8 -9.91 48.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.5 m -74.24 -29.74 61.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.51 -105.65 0.16 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.05 4.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.617 1.851 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -3.73 12.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.29 115.95 6.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.98 74.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.056 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 108.324 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -31.55 6.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.85 48.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.19 -29.83 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.6 -105.68 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.98 4.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -115.02 -3.62 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -65.25 116.13 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.04 75.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.351 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.63 6.05 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.485 1.782 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -9.71 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.3 m -74.49 -29.55 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -105.39 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.06 4.21 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttt -115.14 -3.77 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.15 116.04 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.03 75.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 108.289 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -31.5 6.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -9.66 47.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.1 m -74.66 -29.28 61.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.68 -105.2 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 5.08 4.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttm -115.05 -3.95 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -65.37 116.09 6.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.03 74.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.342 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.509 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.61 5.99 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.36 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.509 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.4 m -74.09 -30.41 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.76 -105.38 0.15 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -115.23 -3.91 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 4.7 t80 -63.84 115.59 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.13 74.92 1.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.418 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.54 3.78 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.429 1.752 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.27 -18.14 65.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' LYS . 47.6 m -67.79 -30.96 70.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.39 -105.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 5.78 3.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.509 1.794 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' CYS . 4.9 ttmt -112.66 -7.42 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -67.21 116.34 7.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.55 67.9 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 4.1 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 108.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.55 6.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.68 46.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.7 m -74.46 -29.85 61.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.09 -105.91 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.07 4.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -114.78 -3.49 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -65.7 115.99 6.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.04 74.84 1.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.417 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.39 6.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.83 48.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.1 m -74.69 -29.62 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.11 -105.82 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 5.09 4.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -114.75 -3.57 12.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.56 116.27 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.05 75.16 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.53 6.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.584 1.834 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.58 47.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.59 -29.5 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 108.29 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.77 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -115.06 -3.83 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -65.42 116.04 6.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.02 74.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 108.25 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.11 -9.66 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.1 m -74.73 -29.29 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.84 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.05 4.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -115.05 -3.92 12.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.29 116.03 6.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.06 74.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.183 . . . . 0.0 109.983 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 108.328 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.397 1.735 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.0 -18.43 65.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.7 m -68.32 -31.1 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.19 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.83 3.77 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 tttt -112.41 -7.02 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -68.6 117.25 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.3 64.9 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 3.5 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -31.41 6.19 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.46 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.0 m -74.91 -29.81 61.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 108.251 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.46 -106.54 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.96 4.98 4.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -3.33 13.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -66.35 116.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.09 73.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -32.15 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.71 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.9 m -72.48 -31.19 65.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.01 -106.32 0.33 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 5.23 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.437 1.756 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -4.48 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 5.4 t80 -64.25 115.06 4.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.445 1.09 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.18 74.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.0 t . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.511 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -32.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -9.83 46.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.511 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.0 m -72.4 -31.13 65.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.06 -106.25 0.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.98 5.1 4.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -114.34 -4.7 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.28 114.89 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.43 75.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 108.263 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.514 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.34 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.832 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.53 -9.86 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.6 m -72.28 -31.08 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 108.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.57 -106.18 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 5.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -114.47 -4.45 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.09 114.98 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.22 74.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.75 3.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.35 -15.97 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.1 m -71.54 -30.92 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 108.259 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.27 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.1 ttmm -112.37 -6.61 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.28 116.55 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.34 67.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.513 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.73 5.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -9.52 45.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.513 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 45.0 m -73.1 -30.83 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 108.278 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.16 -106.33 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 5.14 4.16 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.19 -4.52 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.66 115.15 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 75.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.42 3.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.94 65.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . 52.4 m -67.93 -30.84 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.24 -105.14 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.75 3.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.396 1.735 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 21.8 tttt -113.07 -7.91 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.29 117.86 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.2 64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 3.1 t . . . . . 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD2' ' ND2' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.98 -33.81 4.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -9.78 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.7 m -75.5 -31.0 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -105.03 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 5.67 3.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 ttmt -112.97 -5.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -69.12 116.22 9.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.53 65.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.977 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 4.9 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.66 8.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -14.53 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' LYS . 58.1 m -81.74 -27.47 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.295 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.91 -104.84 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 5.48 4.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -112.97 -1.02 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -74.09 117.28 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.85 73.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.326 179.98 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.36 10.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -13.92 62.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' LYS . 65.3 m -79.7 -26.35 40.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.98 -104.53 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -75.0 5.19 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -113.31 -0.82 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.5 118.14 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.44 77.53 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.342 179.985 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.52 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 1.5 t30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.91 4.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.81 -9.05 41.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.52 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 47.1 m -73.32 -32.11 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.258 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -104.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.0 5.64 3.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -113.92 -6.57 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.373 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.36 115.75 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.66 66.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 108.278 179.999 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 2.8 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.33 10.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.569 1.826 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -11.2 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' LYS . 56.9 m -81.76 -26.24 34.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.62 -104.84 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.462 1.102 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.62 4.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 ttmt -115.04 1.78 14.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.6 1.187 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -71.88 120.08 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.87 75.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.937 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.14 10.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.19 67.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 82.7 m -66.73 -28.18 68.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.26 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.76 -3.12 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -65.81 124.12 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.17 77.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 108.338 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD2' ' ND2' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.92 -30.96 6.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -9.7 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 39.5 m -74.62 -29.57 61.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.37 -105.97 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.35 4.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -115.4 -2.13 12.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.65 115.65 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.97 84.91 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.292 179.971 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.61 10.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.19 67.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.603 1.189 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 77.8 m -67.25 -28.14 67.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.32 -104.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.0 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.57 -4.03 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -64.54 123.38 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.26 78.72 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.958 -179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.996 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.22 9.33 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.05 -19.1 64.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 59.1 m -73.01 -31.45 64.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 9' ' ' PRO . . . 52.64 -106.62 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -74.98 5.52 3.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.15 -4.14 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -66.03 120.5 13.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.97 76.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 6.2 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.543 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -33.82 4.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -14.88 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 44.4 m -65.17 -33.65 76.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.398 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.18 -106.37 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.87 -5.83 12.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -61.0 116.16 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.07 64.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 -179.99 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.545 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -14.21 59.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.545 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 45.5 m -65.71 -33.88 76.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.72 -106.61 0.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.93 5.26 4.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -115.53 -6.18 12.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.54 115.8 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.1 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.934 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.484 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 1.3 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -32.86 5.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.81 . . . . 0.0 111.01 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.59 -12.26 51.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.484 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 47.3 m -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.33 -106.33 0.28 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.1 5.31 4.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -115.68 -5.25 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -61.94 116.76 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.98 64.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 -179.953 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.437 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 11.2 m-80 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.72 11.63 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.439 1.757 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.1 -10.25 48.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 4' ' ' ASN . 58.9 m -81.76 -27.46 33.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.348 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.4 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.94 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -116.01 0.63 13.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 3.7 t80 -68.82 121.36 16.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.52 66.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 179.96 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.421 ' N ' ' HG ' ' A' ' 7' ' ' CYS . 1.1 t30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -34.89 3.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.95 -14.03 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 48.0 m -73.44 -33.75 65.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.24 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -104.92 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 5.91 3.71 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -114.31 -6.68 12.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.39 117.26 8.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.84 62.73 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.989 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 108.212 -179.966 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.419 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 2.9 m120 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -26.94 10.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.481 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 57.3 m -79.85 -26.95 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -103.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.402 1.064 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 3.89 5.23 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 7' ' ' CYS . 8.6 ttmt -118.44 0.81 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 9.0 t80 -61.23 119.82 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.055 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.19 114.33 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.961 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -30.44 7.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.88 -9.95 49.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 46.6 m -73.54 -30.29 62.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.249 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.45 -103.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 4.6 4.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -118.88 -1.39 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.03 119.23 7.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.05 125.34 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 -179.99 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.429 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.43 2.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -12.42 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.8 m -74.16 -32.56 63.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.44 -105.37 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.82 3.73 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -112.99 -7.39 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -70.89 116.1 10.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.99 60.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.939 HG22 ' HB3' ' A' ' 12' ' ' SER . 4.6 pt . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -160.07 111.71 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 108.389 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -95.47 66.6 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.256 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -154.57 150.99 22.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.262 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -31.5 6.08 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.95 -9.69 47.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.3 m -74.51 -29.72 61.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.237 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.68 -105.72 0.17 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.584 1.177 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.07 4.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -114.92 -3.57 12.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -65.59 115.95 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.939 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -142.99 74.72 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 110.029 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.3 t -148.72 62.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.34 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.928 HG22 ' HB3' ' A' ' 12' ' ' SER . 4.2 pt . . . . . 0 N--CA 1.45 -0.469 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -161.15 111.82 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 108.331 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -95.72 66.67 2.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -154.64 151.14 22.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -31.66 6.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.8 -9.91 48.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.5 m -74.24 -29.74 61.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.51 -105.65 0.16 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.412 1.07 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.05 4.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.617 1.851 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.91 -3.73 12.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -65.29 115.95 6.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.928 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.98 74.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.056 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 t -148.92 64.88 1.04 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 108.324 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.933 HG22 ' HB3' ' A' ' 12' ' ' SER . 3.0 pt . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -161.89 111.14 1.51 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -95.43 66.68 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 108.332 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -154.41 150.96 22.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 109.302 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -31.55 6.04 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.85 48.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.19 -29.83 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.6 -105.68 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.98 4.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -115.02 -3.62 12.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -65.25 116.13 6.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.933 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.04 75.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.959 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 t -148.89 63.62 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.351 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.931 HG22 ' HB3' ' A' ' 12' ' ' SER . 2.8 pt . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -162.39 111.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.58 66.57 2.77 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.516 1.135 . . . . 0.0 108.331 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -154.23 151.01 23.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.388 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.63 6.05 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.485 1.782 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.86 -9.71 46.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.384 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.3 m -74.49 -29.55 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -105.39 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.06 4.21 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttt -115.14 -3.77 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -65.15 116.04 6.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.931 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.03 75.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 t -149.01 62.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 108.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.915 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -161.12 111.73 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.69 66.73 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 108.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -154.52 151.05 22.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -31.5 6.2 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.08 -9.66 47.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.1 m -74.66 -29.28 61.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.311 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.68 -105.2 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 5.08 4.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.1 tttm -115.05 -3.95 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -65.37 116.09 6.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.915 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.03 74.57 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.998 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t -148.87 64.24 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.342 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.871 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -160.43 110.61 1.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.54 1.15 . . . . 0.0 108.254 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.3 t -94.88 66.61 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.509 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -154.6 151.05 22.85 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -31.61 5.99 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.36 44.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.509 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.4 m -74.09 -30.41 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.76 -105.38 0.15 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -115.23 -3.91 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 4.7 t80 -63.84 115.59 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.871 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -143.13 74.92 1.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -148.96 63.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.752 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.5 pp . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.7 t -149.46 162.54 39.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 108.247 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 2.0 t -138.74 68.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.418 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -165.13 157.76 13.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.54 3.78 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.429 1.752 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.27 -18.14 65.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 10' ' ' LYS . 47.6 m -67.79 -30.96 70.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.39 -105.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 5.78 3.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.509 1.794 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' CYS . 4.9 ttmt -112.66 -7.42 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -67.21 116.34 7.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.691 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -152.55 67.9 0.84 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 110.012 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.434 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 4.1 t -148.96 67.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 108.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.933 HG22 ' HB3' ' A' ' 12' ' ' SER . 4.0 pt . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -159.6 111.82 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.599 1.187 . . . . 0.0 108.261 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.0 t -95.5 66.53 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.383 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -154.62 150.92 22.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.55 6.13 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.68 46.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 42.7 m -74.46 -29.85 61.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.09 -105.91 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 5.07 4.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -114.78 -3.49 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -65.7 115.99 6.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.933 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -143.04 74.84 1.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 t -148.83 -47.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.417 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.919 HG22 ' HB3' ' A' ' 12' ' ' SER . 3.7 pt . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -160.37 111.39 1.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 108.258 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.9 t -95.16 66.45 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 -154.38 150.57 22.34 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -31.39 6.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.89 -9.83 48.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.499 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.1 m -74.69 -29.62 61.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.11 -105.82 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 5.09 4.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -114.75 -3.57 12.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.56 116.27 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.919 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -143.05 75.16 1.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 t -148.91 -47.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 108.291 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.927 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -161.18 111.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 108.306 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 t -95.81 66.72 2.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -154.49 151.1 23.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -31.53 6.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.584 1.834 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.58 47.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 41.4 m -74.59 -29.5 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 108.29 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.77 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 4.99 4.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -115.06 -3.83 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.386 1.054 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -65.42 116.04 6.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.927 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.02 74.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.0 t -148.9 -47.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 108.25 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.93 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.8 pp . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -161.95 111.63 1.54 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.587 1.179 . . . . 0.0 108.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.55 66.55 2.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 0.0 108.313 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -154.4 150.98 23.04 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.11 -9.66 48.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.1 m -74.73 -29.29 61.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 108.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.84 -105.29 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.05 4.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -115.05 -3.92 12.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -65.29 116.03 6.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.93 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -143.06 74.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.183 . . . . 0.0 109.983 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.9 t -148.89 -46.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 108.328 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.743 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 t -139.15 164.59 29.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.601 1.188 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.01 67.67 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -165.04 157.99 14.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.397 1.735 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.0 -18.43 65.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.7 m -68.32 -31.1 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.19 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 5.83 3.77 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 tttt -112.41 -7.02 13.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -68.6 117.25 10.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.514 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -152.3 64.9 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 3.5 t -148.91 68.17 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 108.326 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.887 HG22 ' HB3' ' A' ' 12' ' ' SER . 2.6 pt . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -141.84 114.53 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.591 1.182 . . . . 0.0 108.32 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -95.15 66.57 2.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.294 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.504 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -156.45 150.32 19.44 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -31.41 6.19 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.547 1.814 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.99 -9.46 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.0 m -74.91 -29.81 61.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 108.251 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.46 -106.54 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.96 4.98 4.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -3.33 13.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -66.35 116.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.887 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -143.09 73.15 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -148.9 -47.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 108.289 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.941 HG22 ' HB3' ' A' ' 12' ' ' SER . 5.1 pt . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.5 t -155.5 117.92 4.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 t -98.74 68.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -159.93 151.82 16.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -32.15 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.63 -9.71 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.9 m -72.48 -31.19 65.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.01 -106.32 0.33 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 5.23 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.437 1.756 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 -4.48 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' C ' ' CD1' ' A' ' 11' ' ' TYR . 5.4 t80 -64.25 115.06 4.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.445 1.09 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.941 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -147.18 74.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.935 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.0 t -149.0 -47.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 0.0 108.312 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.946 HG22 ' HB3' ' A' ' 12' ' ' SER . 3.9 pt . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -159.34 115.5 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -97.45 68.44 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.511 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -158.92 151.35 17.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -32.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.68 -9.83 46.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.511 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.0 m -72.4 -31.13 65.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 108.338 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.06 -106.25 0.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.98 5.1 4.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -114.34 -4.7 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.28 114.89 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.946 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -146.43 75.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 t -149.01 -47.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 108.263 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.94 HG22 ' HB3' ' A' ' 12' ' ' SER . 4.8 pt . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.4 t -155.42 117.57 4.14 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 t -98.44 68.69 1.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 108.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.514 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -159.76 151.99 17.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.34 5.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.832 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.53 -9.86 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.514 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.6 m -72.28 -31.08 65.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 108.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.57 -106.18 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 5.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -114.47 -4.45 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.09 114.98 4.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.94 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -147.22 74.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 t -148.94 -47.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.338 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.834 HG22 ' HB3' ' A' ' 12' ' ' SER . 8.6 pt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 t -142.03 168.2 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 108.292 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -142.99 66.57 1.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 108.334 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.07 159.05 14.53 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.597 1.186 . . . . 0.0 109.26 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.75 3.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.35 -15.97 63.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 10' ' ' LYS . 48.1 m -71.54 -30.92 66.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 108.259 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -105.27 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 5.77 3.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.1 ttmm -112.37 -6.61 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.28 116.55 9.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.834 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -153.34 67.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 t -146.04 -47.05 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.314 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.91 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.6 pt . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -154.75 115.31 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.344 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 t -96.42 67.93 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 108.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.513 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 t-20 -158.64 150.91 17.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.73 5.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.84 -9.52 45.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.513 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 45.0 m -73.1 -30.83 63.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.408 1.068 . . . . 0.0 108.278 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.16 -106.33 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.571 1.169 . . . . 0.0 111.059 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 5.14 4.16 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.19 -4.52 13.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -63.66 115.15 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.91 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -146.52 75.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.2 t -149.01 -47.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 12' ' ' SER . 9.6 pt . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.6 t -142.37 162.75 34.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 108.255 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 t -137.94 67.98 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.268 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -165.19 157.13 13.25 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.42 3.87 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -18.94 65.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . 52.4 m -67.93 -30.84 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.24 -105.14 0.11 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 5.75 3.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.396 1.735 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' CYS . 21.8 tttt -113.07 -7.91 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -70.29 117.86 12.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -153.2 64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 3.1 t -149.11 68.46 1.05 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 108.263 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 12' ' ' SER . 11.7 pt . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 11.0 t -141.91 129.25 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 108.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 t -107.65 71.69 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.107 . . . . 0.0 108.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t30 -163.28 155.76 15.74 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD2' ' ND2' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.98 -33.81 4.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.045 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.49 -9.78 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.7 m -75.5 -31.0 60.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -105.03 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 5.67 3.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' CYS . 1.6 ttmt -112.97 -5.81 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -69.12 116.22 9.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -148.53 65.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -148.88 -47.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.939 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.7 pp . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HB2' ' CE ' ' A' ' 10' ' ' LYS . 11.2 t -149.38 168.11 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.36 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 4.4 t -145.29 65.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 108.333 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 4.9 m120 -165.46 156.48 12.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.66 8.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.91 -14.53 61.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 10' ' ' LYS . 58.1 m -81.74 -27.47 33.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.295 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.91 -104.84 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 5.48 4.01 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -112.97 -1.02 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -74.09 117.28 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.939 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -147.85 73.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 1.9 t -149.01 -46.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.948 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.6 pt . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.451 ' SG ' ' ND2' ' A' ' 4' ' ' ASN . 1.7 t -141.12 161.31 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.613 1.196 . . . . 0.0 108.345 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.447 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 4.7 t -134.94 54.02 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.451 ' ND2' ' SG ' ' A' ' 2' ' ' CYS . 1.5 m-20 -143.92 150.66 50.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.36 10.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.11 -13.92 62.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' LYS . 65.3 m -79.7 -26.35 40.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.98 -104.53 0.09 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -75.0 5.19 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -113.31 -0.82 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -72.5 118.14 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.948 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -143.44 77.53 1.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 6.5 t -149.18 -47.0 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.342 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 12' ' ' SER . 2.1 pt . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 t -144.72 129.27 18.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.346 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 2.6 t -107.76 72.27 0.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 108.329 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.519 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.5 t30 -165.09 156.07 12.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -33.91 4.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.81 -9.05 41.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.519 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 47.1 m -73.32 -32.11 64.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.258 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -104.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.0 5.64 3.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -113.92 -6.57 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.373 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -65.36 115.75 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER -151.66 66.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 6.1 t -149.12 -47.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 108.278 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.926 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.2 pt . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.1 t -161.35 116.39 2.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.6 t -99.66 69.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 108.369 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 2.8 m120 -161.57 149.09 11.94 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.33 10.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.569 1.826 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -11.2 43.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' LYS . 56.9 m -81.76 -26.24 34.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.62 -104.84 0.1 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.462 1.102 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.62 4.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.552 1.817 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.4 ttmt -115.04 1.78 14.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.6 1.187 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' HH ' ' N ' ' A' ' 14' ' ' NH2 . 17.8 t80 -71.88 120.08 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.926 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.87 75.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.937 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.6 t -149.0 -47.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.514 ' N ' ' HH ' ' A' ' 11' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.636 1.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.021 HG22 ' HB3' ' A' ' 12' ' ' SER . 4.9 pt . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.4 p -146.95 123.38 11.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 108.31 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -92.7 63.07 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 108.262 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -137.79 145.8 50.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.14 10.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.26 -25.19 67.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 82.7 m -66.73 -28.18 68.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.26 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.76 -3.12 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -65.81 124.12 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 1.021 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.17 77.93 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t -149.13 66.95 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 108.338 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.896 HG22 ' HB3' ' A' ' 12' ' ' SER . 2.3 pt . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.1 t -161.69 105.81 1.25 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.527 1.142 . . . . 0.0 108.276 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.6 64.42 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.345 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -151.51 149.56 24.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD2' ' ND2' ' A' ' 4' ' ' ASN . 18.4 Cg_endo -74.92 -30.96 6.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.818 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.01 -9.7 47.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 39.5 m -74.62 -29.57 61.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.37 -105.97 0.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 4.35 4.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -115.4 -2.13 12.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.65 115.65 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.896 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -142.97 84.91 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.972 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -149.2 -78.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 108.292 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.023 HG22 ' HB3' ' A' ' 12' ' ' SER . 3.8 pt . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.0 p -147.27 124.37 11.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 108.334 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -93.36 63.48 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.315 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -139.29 146.4 48.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.61 10.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.19 67.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.603 1.189 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 77.8 m -67.25 -28.14 67.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.32 -104.14 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.447 1.092 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.0 5.55 3.92 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -115.57 -4.03 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -64.54 123.38 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 1.023 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.26 78.72 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.958 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t -149.28 -47.11 0.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.047 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.3 pt . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.474 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -139.16 166.27 24.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 t -135.6 58.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.46 150.81 55.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.22 9.33 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.05 -19.1 64.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 59.1 m -73.01 -31.45 64.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 9' ' ' PRO . . . 52.64 -106.62 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -74.98 5.52 3.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' CE ' ' HB3' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -113.15 -4.14 13.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -66.03 120.5 13.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 1.047 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -142.97 76.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 6.2 t -149.41 67.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.94 HG22 ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.5 t -101.99 149.81 23.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.292 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 t -132.14 68.79 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 108.249 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -165.03 155.92 12.62 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.406 1.066 . . . . 0.0 109.321 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -33.82 4.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -14.88 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 44.4 m -65.17 -33.65 76.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.398 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.18 -106.37 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 5.32 4.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.87 -5.83 12.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -61.0 116.16 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.94 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -143.07 64.0 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.7 t -149.22 60.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.567 1.167 . . . . 0.0 108.302 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.952 HG22 ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.6 t -101.92 150.33 23.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -132.62 68.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.337 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 m-20 -165.11 155.87 12.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -14.21 59.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 45.5 m -65.71 -33.88 76.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.72 -106.61 0.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.554 1.159 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.5 Cg_endo -74.93 5.26 4.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -115.53 -6.18 12.24 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.54 115.8 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.952 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -143.1 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -149.18 63.42 1.03 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.956 HG22 ' HB3' ' A' ' 12' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.4 t -101.97 150.78 22.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.143 . . . . 0.0 108.298 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.03 68.43 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -165.31 155.36 11.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -32.86 5.14 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.81 . . . . 0.0 111.01 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.59 -12.26 51.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 47.3 m -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.33 -106.33 0.28 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.1 Cg_endo -75.1 5.31 4.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -115.68 -5.25 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' HH ' ' N ' ' A' ' 14' ' ' NH2 . 36.2 t80 -61.94 116.76 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.956 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -142.98 64.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.9 t -149.19 -47.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 108.318 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.473 ' N ' ' HH ' ' A' ' 11' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.938 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.2 pt . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.2 t -101.95 152.89 20.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.44 ' C ' ' ND2' ' A' ' 4' ' ' ASN . 6.6 t -135.15 64.89 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 108.275 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 3' ' ' CYS . 11.2 m-80 -163.96 152.18 11.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.72 11.63 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.439 1.757 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.1 -10.25 48.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 4' ' ' ASN . 58.9 m -81.76 -27.46 33.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.348 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.4 -104.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.97 4.94 4.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.057 -179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -116.01 0.63 13.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 3.7 t80 -68.82 121.36 16.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.938 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -142.52 66.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . 44.9 t -149.2 57.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' ' 12' ' ' SER . 1.7 pt . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t -102.85 167.45 9.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 108.307 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 6.0 t -151.05 68.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.357 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -165.32 160.36 14.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -34.89 3.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.95 -14.03 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.0 m -73.44 -33.75 65.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.24 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.18 -104.92 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 5.91 3.71 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -114.31 -6.68 12.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.39 117.26 8.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.526 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.5 OUTLIER -142.84 62.73 1.4 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.989 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 5.9 t -149.52 67.37 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 108.212 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.793 HG22 ' HB3' ' A' ' 12' ' ' SER . 1.4 pt . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' SER . 10.8 t -148.1 94.71 2.36 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.482 1.114 . . . . 0.0 108.246 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.32 65.65 8.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.113 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.419 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 2.9 m120 -153.6 145.37 16.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -26.94 10.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.536 1.808 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.481 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 57.3 m -79.85 -26.95 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.21 -103.08 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.402 1.064 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.01 3.89 5.23 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 7' ' ' CYS . 8.6 ttmt -118.44 0.81 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 9.0 t80 -61.23 119.82 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.055 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.793 ' HB3' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -143.19 114.33 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.02 -41.05 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.296 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.539 ' HB ' ' O ' ' A' ' 12' ' ' SER . 7.0 pt . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' SER . 10.9 t -138.92 97.3 3.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 108.302 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.4 65.5 8.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 108.29 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.501 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.1 t-20 -152.29 147.62 19.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -30.44 7.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.88 -9.95 49.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.501 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 46.6 m -73.54 -30.29 62.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.249 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.45 -103.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.04 4.6 4.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -118.88 -1.39 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -60.03 119.23 7.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.539 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -154.05 125.34 7.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.28 37.35 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' ' 12' ' ' SER . 1.1 pt . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.5 t -102.69 172.01 7.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.1 . . . . 0.0 108.271 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 13' ' ' CYS . 6.8 t -149.89 61.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' CB ' ' SG ' ' A' ' 7' ' ' CYS . 1.4 t30 -160.1 161.37 26.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.43 2.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.42 -12.42 52.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 4' ' ' ASN . 43.8 m -74.16 -32.56 63.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.28 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.44 -105.37 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 5.82 3.73 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -112.99 -7.39 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -70.89 116.1 10.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.554 ' O ' ' HB ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -142.99 60.08 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.005 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -149.36 -46.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.98 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_