data_1y7j_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 1y7j _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 ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 t -145.05 149.58 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.34 -100.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 t -164.6 40.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 1.456 ' HE ' ' NE ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -145.07 41.64 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.594 1.184 . . . . 0.0 110.25 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -134.85 132.13 38.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 p -78.87 136.86 37.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.607 1.192 . . . . 0.0 110.134 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.7 p -165.39 -177.18 4.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 108.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -143.58 143.17 22.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.474 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 167.37 27.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.488 1.783 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.82 -62.82 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.028 -0.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -75.67 164.27 61.74 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.562 1.164 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.07 -0.27 17.28 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.025 -0.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 105' ' ' PRO . . . 83.28 -161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 109' ' ' ASP . 84.7 m -141.02 61.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.2 m 67.99 -72.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 108.377 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' CYS . 2.3 m-20 -85.11 147.52 47.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.83 8.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.6 t -105.61 -8.58 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 108.232 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -95.19 111.0 22.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.62 162.2 18.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.6 95.61 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.264 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.568 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 40.1 t80 -125.49 165.41 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.568 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.13 137.62 45.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 1.363 ' NE ' ' HE ' ' A' ' 117' ' ' ARG . 0.2 OUTLIER -125.39 1.26 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -114.5 170.9 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.046 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.11 12.67 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 1.317 ' NE ' ' HE ' ' A' ' 120' ' ' ARG . 0.8 OUTLIER -103.84 9.31 36.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.202 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.62 17.51 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.501 ' O ' ' CE2' ' A' ' 124' ' ' TYR . . . -74.25 94.34 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.215 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.8 m -94.77 120.09 34.43 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.346 1.029 . . . . 0.0 108.35 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 6.0 p90 -145.14 -179.84 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.9 m -46.16 131.61 10.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 1.331 ' NE ' ' HE ' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -177.14 126.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.056 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.411 HG22 ' OG ' ' A' ' 129' ' ' SER . 3.1 p -98.85 -38.06 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.413 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.723 ' N ' ' HE ' ' A' ' 126' ' ' ARG . 0.2 OUTLIER 56.13 57.07 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.411 ' OG ' HG22 ' A' ' 127' ' ' VAL . 93.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.78 131.99 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.48 170.33 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.5 m -73.34 57.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.23 -45.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 152.3 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 89.0 p -81.82 164.46 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.9 p -161.91 173.9 13.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -143.29 131.82 11.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.477 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 -62.8 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -95.03 163.91 20.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -171.65 9.68 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.978 -0.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.95 -161.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 179.18 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.1 t -55.05 -68.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.21 140.7 82.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.35 2.68 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.95 126.67 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 t -134.51 176.89 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.7 m -84.77 88.85 7.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.267 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -105.26 145.37 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.01 142.32 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -53.41 175.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.85 32.92 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.67 -69.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.75 -149.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.4 51.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.2 m -94.67 128.9 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.6 p90 -145.94 172.38 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 132.22 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.453 ' CG ' ' N ' ' A' ' 127' ' ' VAL . 9.0 ttt180 170.38 156.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.453 ' N ' ' CG ' ' A' ' 126' ' ' ARG . 1.7 p -124.0 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' SER . 77.2 mt -154.24 107.89 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.77 159.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.17 167.27 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.5 m -74.34 -2.29 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -137.66 55.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -149.72 144.62 26.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -57.8 129.86 43.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.2 m -65.49 127.82 33.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.83 152.34 58.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.471 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.5 Cg_endo -75.0 166.98 28.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -75.01 131.25 23.59 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.007 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.493 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -75.23 163.26 69.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 -33.08 4.27 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.982 0.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 48.62 93.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 1.4 t 179.78 125.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.68 66.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.418 ' OD1' ' CG2' ' A' ' 127' ' ' VAL . 0.2 OUTLIER 168.39 112.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.1 Cg_endo -75.05 79.9 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.55 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.07 108.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 m -94.91 -176.75 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.21 89.77 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.427 ' CG ' ' NH1' ' A' ' 126' ' ' ARG . 32.0 t80 -97.46 136.1 38.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.55 141.18 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.86 -43.99 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.1 166.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.55 30.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -155.61 -67.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 7.1 t -136.69 -149.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.44 56.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 m -94.36 138.29 32.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.3 p90 -145.49 173.46 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 140.24 54.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.453 ' HG2' ' CD2' ' A' ' 128' ' ' LEU . 5.8 tmm_? -153.7 118.73 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.418 ' CG2' ' OD1' ' A' ' 109' ' ' ASP . 7.2 p -134.89 12.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 126' ' ' ARG . 1.4 pp -69.98 83.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.9 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 t -101.59 153.29 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.05 173.2 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.5 m -74.84 57.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -145.36 -45.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.65 163.3 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.48 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 69.2 p -68.47 165.31 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.8 p -61.16 144.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.96 79.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.483 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -62.1 0.04 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.992 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -164.41 163.44 14.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 -43.82 0.64 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.973 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -162.35 -60.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.27 177.54 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 p -56.19 -53.74 53.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.33 108.01 0.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.04 8.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 -4.38 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.36 139.5 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -173.9 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.62 88.51 7.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.648 ' CZ ' ' CD2' ' A' ' 128' ' ' LEU . 13.6 t80 -100.67 136.83 39.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 10.8 m -90.65 131.16 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -94.89 -39.53 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -65.4 176.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -93.98 32.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.15 -72.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 1.1 m -137.92 -146.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . 80.52 59.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 65.3 m -92.74 130.9 38.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 23.7 p90 -146.08 172.91 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.61 113.1 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -152.28 151.58 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.8 68.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.648 ' CD2' ' CZ ' ' A' ' 115' ' ' TYR . 3.0 pp -85.07 -40.97 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.82 147.23 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.11 -87.94 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.479 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.8 m -165.58 55.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 -45.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 163.67 27.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 83.2 p -86.65 160.81 18.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 6.0 p -135.1 178.71 6.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -136.93 154.56 76.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.468 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.98 167.28 27.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.468 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 143.57 78.22 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.997 0.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -93.72 163.41 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.03 174.4 52.9 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.54 46.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.08 174.49 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -73.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.08 130.11 5.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 2.79 15.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.78 137.23 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.4 179.55 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 79.6 m -86.93 106.79 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -127.57 144.35 51.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 143.13 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -94.76 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.84 164.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.02 35.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.7 -71.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 6.1 t -136.94 -148.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 77.35 60.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 39.8 m -95.16 128.44 41.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.4 p90 -146.11 -177.13 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.94 129.28 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.71 147.57 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.426 ' CG2' ' N ' ' A' ' 128' ' ' LEU . 2.8 p -126.57 165.06 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' A' ' 127' ' ' VAL . 2.3 mp -155.35 142.43 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.4 t -95.11 160.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -119.06 177.9 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.492 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.7 m -75.14 55.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -145.25 17.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -143.21 145.08 32.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.486 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 78.9 p -87.79 169.89 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.1 m -47.02 117.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.09 153.08 52.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.481 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.95 167.43 27.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.481 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 -37.27 2.29 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.985 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 78.89 163.17 0.13 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.99 129.67 19.26 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.415 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -81.37 -166.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.413 ' HB3' ' CB ' ' A' ' 112' ' ' ALA . 1.3 m 67.06 140.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -74.11 -65.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 108' ' ' CYS . 0.6 OUTLIER -40.21 127.37 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 0.68 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.242 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 107' ' ' CYS . . . -76.1 130.1 37.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.43 -173.05 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.6 114.74 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 37.2 t80 -118.82 135.88 54.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -112.95 132.56 55.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -94.81 -43.61 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.85 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.71 28.71 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.74 -67.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 3.9 m -136.88 -145.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.15 53.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.6 129.46 41.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.355 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.3 p90 -145.85 174.26 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.77 138.09 30.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -177.07 137.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.6 p -120.38 106.05 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.8 mt -70.34 -63.37 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.1 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.014 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.8 t -86.7 141.24 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 96' ' ' THR . . . -90.07 -94.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 96' ' ' THR . 2.6 m -164.57 43.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.14 28.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -135.39 143.46 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 76.2 p -55.04 160.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 123' ' ' CYS . 5.2 m -54.1 154.26 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 89.01 6.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.477 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.02 167.31 27.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 128.06 15.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -75.08 163.42 68.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 150.9 96.19 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.032 -2.486 . . . . 0.0 110.972 0.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.33 66.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.27 157.14 45.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.337 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -63.58 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.42 133.81 95.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.92 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.46 1.54 15.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.38 132.36 34.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.85 159.76 39.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 112.7 20.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.522 ' CZ ' ' O ' ' A' ' 116' ' ' CYS . 41.7 t80 -144.65 162.23 37.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.522 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.17 139.88 42.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -16.78 12.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 119' ' ' PHE . 23.9 t80 -50.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 159.03 -23.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.56 -45.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.45 -154.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 69.21 59.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 100' ' ' CYS . 5.4 m -95.45 124.16 39.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 126' ' ' ARG . 11.3 p90 -146.26 -176.18 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 125.04 24.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -156.61 131.81 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.03 -32.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.468 HD13 ' CZ ' ' A' ' 126' ' ' ARG . 1.5 tp 45.74 91.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.1 t -145.12 158.36 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.78 -78.76 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 t -170.15 32.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.459 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -125.88 -42.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.89 152.71 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 60.1 p -97.94 168.63 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.85 156.35 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.281 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 94.42 32.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.479 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.17 27.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 125.33 11.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.034 -0.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 57.69 163.19 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.97 -171.43 9.37 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.963 0.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.14 -78.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.93 179.76 1.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.1 137.64 84.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.67 8.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.08 0.17 18.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 127' ' ' VAL . . . -105.79 119.71 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.37 171.4 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.2 m -84.78 93.22 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.312 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -110.0 147.94 32.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 128.46 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 8.19 19.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.552 ' O ' ' CG ' ' A' ' 119' ' ' PHE . 29.2 t80 -71.94 -67.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER 159.28 -24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -138.77 -45.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.3 -149.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 66.82 61.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 33.9 m -94.62 126.46 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.463 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 22.5 p90 -145.73 178.87 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.66 137.99 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.449 ' CG ' HD21 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -155.73 123.38 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 127' ' ' VAL . 2.5 p -141.06 48.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.449 HD21 ' CG ' ' A' ' 126' ' ' ARG . 2.5 pp -70.91 121.23 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 3.2 t -118.55 143.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.82 -172.93 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 96' ' ' THR . 8.1 t -75.31 56.27 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 ttt-85 -145.2 -47.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.442 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 18.4 t-20 -80.0 153.11 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.472 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 27.7 p -91.2 157.13 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -131.52 160.38 35.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.436 ' N ' ' SG ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER -131.87 99.52 16.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.486 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 167.33 27.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.773 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.98 128.13 15.78 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.988 -0.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 63.89 162.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 165.87 84.79 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.963 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.6 -173.52 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.83 166.65 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -59.59 138.33 89.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.81 8.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.448 ' CB ' HG23 ' A' ' 127' ' ' VAL . 42.2 m -107.64 -1.9 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.333 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.64 129.53 49.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.74 168.94 18.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 99.52 12.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.562 ' CD2' HD21 ' A' ' 128' ' ' LEU . 34.7 t80 -128.49 156.81 42.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.523 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.89 135.86 49.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.363 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.578 ' NE ' ' HH ' ' A' ' 124' ' ' TYR . 9.1 ptt180 -94.9 -35.95 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -55.93 175.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -101.85 27.73 6.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -66.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -136.76 -147.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 75.81 56.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.3 m -95.14 119.41 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 108.298 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.578 ' HH ' ' NE ' ' A' ' 117' ' ' ARG . 4.1 p90 -146.12 -179.55 6.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 146.09 53.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -179.68 150.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.448 HG23 ' CB ' ' A' ' 111' ' ' CYS . 3.1 p -123.12 65.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 115' ' ' TYR . 1.8 pp -84.57 80.82 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 75.1 t -115.46 134.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.56 -174.13 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 96' ' ' THR . 6.8 t -75.54 55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.51 19.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.427 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 28.9 t-20 -149.46 136.54 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 91.7 p -65.41 155.88 34.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.0 p -64.23 115.71 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 150.0 43.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.444 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.93 164.34 33.63 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.03 133.05 29.69 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.981 0.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -74.7 163.2 69.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.94 -15.52 22.06 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.012 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 50.73 57.74 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -164.3 129.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.95 121.61 15.68 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.73 8.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -112.96 3.05 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.352 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.12 140.39 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 65.3 m -144.95 -174.94 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -85.37 116.33 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -138.93 142.63 38.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.81 138.41 43.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -117.65 -8.76 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 23.6 t80 -56.7 -68.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 160.61 -24.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 -45.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.3 p -135.24 -151.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 69.28 57.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.46 129.61 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.462 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 7.3 p90 -145.33 -178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 136.43 57.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 127' ' ' VAL . 17.0 tpt180 -170.97 148.35 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 13.9 p -128.49 137.57 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.18 63.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 95' ' ' ALA . 94.5 t -109.32 -107.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.441 ' N ' ' CG1' ' A' ' 94' ' ' VAL . . . -155.3 -94.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.0 t -164.86 29.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -145.19 45.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -135.61 132.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.5 p -46.5 158.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 123' ' ' CYS . 4.4 m -58.49 117.87 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.69 86.52 29.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.469 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 167.17 27.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.469 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 136.74 46.63 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.998 0.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -74.84 163.46 68.02 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.04 -173.39 12.26 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.953 0.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.95 -73.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -43.82 146.17 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.423 ' N ' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.14 -43.04 79.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.79 113.04 1.24 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.2 Cg_endo -75.03 78.73 2.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.31 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.31 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.64 115.33 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.64 99.07 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CE1' ' O ' ' A' ' 116' ' ' CYS . 16.4 t80 -125.23 146.45 49.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.448 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -111.81 145.48 39.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -48.33 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 7.7 t80 -57.12 168.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.41 ' N ' ' CD1' ' A' ' 118' ' ' PHE . 9.7 m-85 -94.92 37.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.75 -71.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.87 -149.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 77.49 51.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 m -94.72 129.46 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.4 p90 -146.38 -179.26 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.82 124.95 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.345 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -158.74 140.55 13.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.9 p -99.91 -31.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.8 101.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.42 134.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.57 168.77 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.4 m -74.43 59.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -145.48 -44.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.11 152.3 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 41.1 p -61.09 163.27 6.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.43 137.5 33.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.13 152.58 47.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.472 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.97 166.83 28.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.593 1.839 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 0.4 16.58 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.006 -0.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 62.56 162.94 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.95 -34.95 3.1 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.017 -0.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' PRO . . . 40.4 38.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.88 166.37 11.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.274 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.89 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.95 137.58 57.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 1.07 8.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.87 6.23 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.66 33.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.03 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.3 t -88.05 110.62 20.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 126' ' ' ARG . 45.7 t80 -112.48 136.0 52.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -114.88 135.28 54.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -94.7 -45.24 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.48 ' CD2' ' N ' ' A' ' 119' ' ' PHE . 39.9 t80 -49.0 172.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.48 ' N ' ' CD2' ' A' ' 118' ' ' PHE . 0.4 OUTLIER -34.07 -59.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.446 ' O ' ' NE ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -156.68 22.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.15 -170.12 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . 62.58 58.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.8 m -93.68 134.87 35.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 108.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 6.2 p90 -145.87 178.0 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.8 t -60.87 136.18 58.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.471 ' HA ' ' CG2' ' A' ' 96' ' ' THR . 2.9 tpt180 -175.39 136.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.3 p -111.2 -39.97 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 129' ' ' SER . 5.1 mt 65.66 133.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG21 ' CB ' ' A' ' 98' ' ' ASN . 1.7 p -105.28 153.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 96' ' ' THR . . . -118.21 67.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 96' ' ' THR . 2.7 m 36.17 38.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.14 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.412 ' CB ' HG21 ' A' ' 94' ' ' VAL . 1.8 t-20 -140.9 151.16 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 p -57.44 158.7 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 150.53 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.24 80.22 13.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.486 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.99 167.2 27.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 -41.3 1.02 Allowed 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.016 -0.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -147.28 163.27 29.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 130.43 21.26 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.988 0.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.34 86.28 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.412 ' CB ' ' CB ' ' A' ' 112' ' ' ALA . 34.5 m 72.45 140.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.261 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -44.97 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -81.52 135.8 49.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.1 8.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.43 1.753 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -114.25 3.77 15.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.412 ' CB ' ' CB ' ' A' ' 107' ' ' CYS . . . -90.51 151.9 21.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -142.33 177.9 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.98 119.33 27.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -131.05 135.3 47.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -110.68 141.6 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -47.54 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -51.75 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.07 32.53 2.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.51 -68.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.72 -149.22 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.04 52.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -94.63 133.47 38.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.512 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 3.0 p90 -145.22 176.25 9.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.6 140.04 58.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 108.283 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.461 ' HA ' ' CG2' ' A' ' 96' ' ' THR . 2.0 ttt180 -168.16 144.41 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 p -136.96 93.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.1 -75.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.414 ' N ' ' SG ' ' A' ' 93' ' ' CYS . 63.7 t -100.53 156.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.74 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 t -173.12 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -107.22 78.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -149.7 126.11 10.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -53.45 154.28 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.1 154.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 72.18 14.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.98 167.42 27.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.97 -28.25 7.67 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.024 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -144.88 163.08 35.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 -170.65 8.45 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.961 -0.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.65 -57.49 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 0.1 OUTLIER 174.48 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 4.7 t 84.72 -67.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.93 153.4 43.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.28 7.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.87 -0.42 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 107' ' ' CYS . . . -106.39 100.65 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 160.52 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 m -84.56 108.95 17.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -128.45 156.06 43.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 140.27 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.51 -22.85 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.544 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 30.8 t80 -44.11 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 157.97 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -134.82 -46.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.4 p -135.19 -156.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 73.97 56.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.3 m -94.2 126.2 39.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.09 -179.18 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.2 133.66 15.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 108.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 114.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.5 p -111.48 -35.7 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 64.4 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.412 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 4.9 t -84.98 154.0 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.67 -90.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -176.51 37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -145.12 42.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -159.57 135.03 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 p -39.22 121.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 148.78 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -141.81 82.56 13.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.474 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.06 167.31 27.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -63.15 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.971 0.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -86.39 163.52 41.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.02 -1.86 18.27 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.98 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 105' ' ' PRO . . . 81.51 169.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 4.8 m -93.34 47.3 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 0.1 OUTLIER 84.61 -52.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.95 138.69 19.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.02 8.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 95.1 m -102.46 -4.65 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 108.262 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -79.52 144.12 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.8 m -144.1 -174.55 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.92 118.58 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.249 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -120.75 125.93 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 127.55 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.85 -27.72 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.562 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 31.3 t80 -43.64 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 0.9 OUTLIER 158.19 -23.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.67 -45.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.9 -158.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 73.47 54.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.2 m -94.71 136.91 34.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.19 177.76 8.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.412 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 13.3 m -50.48 129.51 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.84 123.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.57 139.94 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.17 62.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.87 160.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 96' ' ' THR . . . -91.54 -2.79 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.532 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.9 m 84.39 55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 98' ' ' ASN . 1.1 ptm180 -145.71 -40.48 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 0.8 OUTLIER -74.42 167.29 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 p -55.32 160.46 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.1 122.77 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -93.08 152.93 41.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.488 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -75.07 -2.56 19.07 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.991 0.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 57.97 163.16 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.01 -39.14 1.52 Allowed 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.006 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.59 38.37 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.01 160.74 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.367 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.67 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -86.75 124.6 68.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.88 8.38 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -110.12 -0.07 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 108.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.458 ' CB ' HG23 ' A' ' 96' ' ' THR . . . -90.2 132.68 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.85 -179.03 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 91.2 m -85.7 101.31 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.534 ' CD2' HD21 ' A' ' 128' ' ' LEU . 6.4 t80 -115.23 133.91 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 144.0 40.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -61.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.87 164.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.76 36.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -155.64 -70.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 3.9 t -136.77 -149.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.4 57.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 28.0 m -94.79 135.9 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 108.265 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -145.53 179.04 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 131.08 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.457 ' HB3' ' CD2' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -175.66 151.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.0 p -125.03 83.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 115' ' ' TYR . 4.1 mm? -84.92 54.34 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 95' ' ' ALA . 11.9 t -101.18 145.82 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.405 ' N ' HG11 ' A' ' 94' ' ' VAL . . . -94.72 -92.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 t -174.78 56.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -145.38 -44.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -74.24 146.82 42.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -58.35 165.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 t -44.83 143.27 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 108.239 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.05 147.93 36.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.472 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.65 26.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.04 -61.16 0.05 OUTLIER 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.984 0.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 78.91 163.16 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.96 129.6 19.05 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.068 -2.472 . . . . 0.0 111.013 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.418 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -157.19 -61.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 36.8 t 44.37 30.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 2.7 t 85.02 -70.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.339 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.87 145.56 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.57 1.49 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.457 ' CB ' ' HB ' ' A' ' 127' ' ' VAL . . . -116.16 132.91 56.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 m -144.26 170.95 15.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.2 p -84.61 108.66 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 73.0 t80 -130.73 158.45 40.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.43 137.41 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.425 ' NE ' ' OH ' ' A' ' 124' ' ' TYR . 15.7 ptt180 -94.73 -33.16 13.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.72 176.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -102.53 29.79 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 -68.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.1 OUTLIER -137.09 -155.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 84.63 44.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.41 119.08 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 7.3 p90 -146.02 168.32 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.5 142.41 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 178.68 156.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 127' ' ' VAL . 1.3 p -131.67 7.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' VAL . 0.7 OUTLIER 39.11 40.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 p -85.86 -178.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.95 -100.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -170.21 31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -115.58 -27.05 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -74.82 152.93 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.421 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 52.2 p -51.46 168.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 29.1 t -119.0 131.78 56.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.236 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 92.8 5.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.48 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.96 166.84 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.05 -60.06 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.998 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -95.15 163.13 22.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.99 166.32 83.59 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.24 28.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.54 164.97 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.9 m -54.93 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 9.8 m-20 -66.61 123.78 86.67 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.81 8.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.31 2.49 14.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' A' ' 109' ' ' ASP . . . -84.28 125.08 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.14 -174.82 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.76 84.65 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.339 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -104.11 138.73 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 144.28 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 -48.86 5.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -55.99 164.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.89 36.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -155.72 -71.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 3.6 m -136.94 -149.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.93 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 77.92 51.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.42 130.08 40.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.36 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.5 p90 -146.22 -174.89 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 121.9 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.32 128.16 5.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 129' ' ' SER . 2.8 p -87.12 -38.02 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' VAL . 0.4 OUTLIER 39.85 31.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 127' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.1 t -100.74 162.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' THR . . . -124.17 67.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.7 m 35.72 53.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -145.56 -44.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -74.68 149.53 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.475 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 3.9 m -75.89 159.66 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.58 125.2 26.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.15 84.24 8.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.479 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 166.79 28.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.07 -64.42 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.98 0.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.469 ' HA ' ' C ' ' A' ' 105' ' ' PRO . . . -95.72 162.19 25.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.94 157.76 99.4 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.001 -0.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.88 119.6 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.17 134.41 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -73.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -40.26 108.8 0.55 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.4 Cg_endo -74.99 82.92 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.64 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.78 113.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 173.67 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 59.6 m -85.47 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.425 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 15.9 t80 -100.91 134.88 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -110.72 141.29 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -94.9 -43.86 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.05 170.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.93 32.06 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -155.67 -68.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.68 -149.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.32 53.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.31 134.7 36.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.475 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 11.3 p90 -145.7 178.77 7.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.76 134.04 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.29 122.74 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.3 p -134.29 38.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 3.3 pp -74.42 58.86 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.939 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.0 t -93.94 154.85 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.14 -82.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 96' ' ' THR . 1.4 t -164.69 46.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.6 -40.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.53 141.45 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.472 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 94.0 p -49.62 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.19 136.66 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -123.32 146.52 49.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.03 160.49 40.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 0.96 16.11 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.008 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 79.3 162.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.02 -3.77 19.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.025 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 72.68 -71.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -41.82 133.52 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 28.2 p -55.18 -40.31 70.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.343 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -44.32 107.92 0.66 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.5 Cg_endo -74.96 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.8 p 157.48 -24.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.14 122.73 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.5 p -116.07 177.68 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.59 87.38 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 108.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -103.0 137.72 40.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 143.09 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -94.81 -49.38 5.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.01 163.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.52 34.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.66 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -136.66 -149.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.16 52.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.8 m -94.24 132.9 38.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 108.31 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.0 p90 -145.82 177.73 8.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.02 132.03 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.471 ' CG ' ' HG ' ' A' ' 128' ' ' LEU . 0.6 OUTLIER -173.97 136.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 1.3 p -113.76 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER 78.49 -76.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG2' ' SG ' ' A' ' 107' ' ' CYS . 17.2 m -92.92 -163.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.61 -70.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 t -171.89 47.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -44.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 160.71 30.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.469 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 77.2 p -68.79 162.78 25.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.94 142.47 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -124.33 75.46 61.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.47 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.97 167.19 27.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.47 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.04 -45.18 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.97 0.05 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -145.24 163.49 32.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 143.33 77.48 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.014 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.69 174.2 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 94' ' ' VAL . 15.0 m -58.14 178.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -50.16 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 113.35 12.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.06 8.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 95.6 m -111.02 -0.03 16.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -89.39 130.63 35.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.96 168.81 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 t -84.88 97.03 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 108.34 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -119.16 141.7 48.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -109.86 143.66 39.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -51.59 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -50.96 168.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.45 35.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -70.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 3.3 t -136.87 -149.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 77.81 55.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.9 m -94.43 130.51 40.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.343 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.469 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 8.7 p90 -146.06 -178.26 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 131.59 43.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -162.82 134.32 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.2 -34.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 66.45 100.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 t -145.05 149.58 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.34 -100.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 t -164.6 40.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 1.456 ' HE ' ' NE ' ' A' ' 97' ' ' ARG . 0.1 OUTLIER -145.07 41.64 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.594 1.184 . . . . 0.0 110.25 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -134.85 132.13 38.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 p -78.87 136.86 37.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.607 1.192 . . . . 0.0 110.134 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.7 p -165.39 -177.18 4.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 108.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -143.58 143.17 22.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.474 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 167.37 27.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.488 1.783 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.82 -62.82 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.028 -0.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -75.67 164.27 61.74 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.562 1.164 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.07 -0.27 17.28 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.025 -0.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 105' ' ' PRO . . . 83.28 -161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 109' ' ' ASP . 84.7 m -141.02 61.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.2 m 67.99 -72.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 108.377 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' CYS . 2.3 m-20 -85.11 147.52 47.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.83 8.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.6 t -105.61 -8.58 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 108.232 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -95.19 111.0 22.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.62 162.2 18.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.6 95.61 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.264 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.568 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 40.1 t80 -125.49 165.41 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.568 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.13 137.62 45.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 1.363 ' NE ' ' HE ' ' A' ' 117' ' ' ARG . 0.2 OUTLIER -125.39 1.26 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -114.5 170.9 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.046 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.11 12.67 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 1.317 ' NE ' ' HE ' ' A' ' 120' ' ' ARG . 0.8 OUTLIER -103.84 9.31 36.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.202 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.62 17.51 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.501 ' O ' ' CE2' ' A' ' 124' ' ' TYR . . . -74.25 94.34 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.215 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.8 m -94.77 120.09 34.43 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.346 1.029 . . . . 0.0 108.35 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 6.0 p90 -145.14 -179.84 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.9 m -46.16 131.61 10.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 1.331 ' NE ' ' HE ' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -177.14 126.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.056 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.411 HG22 ' OG ' ' A' ' 129' ' ' SER . 3.1 p -98.85 -38.06 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.413 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.723 ' N ' ' HE ' ' A' ' 126' ' ' ARG . 0.2 OUTLIER 56.13 57.07 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.411 ' OG ' HG22 ' A' ' 127' ' ' VAL . 93.4 p -179.63 132.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.63 -52.06 6.38 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -79.98 63.83 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.314 1.009 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 108.403 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.78 131.99 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.48 170.33 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.5 m -73.34 57.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.23 -45.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 152.3 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 89.0 p -81.82 164.46 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.9 p -161.91 173.9 13.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -143.29 131.82 11.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.477 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 -62.8 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -95.03 163.91 20.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -171.65 9.68 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.978 -0.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.95 -161.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 179.18 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.1 t -55.05 -68.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.21 140.7 82.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.35 2.68 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.95 126.67 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 t -134.51 176.89 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.7 m -84.77 88.85 7.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.267 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -105.26 145.37 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.01 142.32 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -53.41 175.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.85 32.92 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.67 -69.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.75 -149.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.4 51.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.2 m -94.67 128.9 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.6 p90 -145.94 172.38 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 132.22 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.453 ' CG ' ' N ' ' A' ' 127' ' ' VAL . 9.0 ttt180 170.38 156.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.453 ' N ' ' CG ' ' A' ' 126' ' ' ARG . 1.7 p -124.0 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' SER . 77.2 mt -154.24 107.89 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER 38.97 90.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.444 ' O ' ' CB ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER 71.47 -159.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 0.5 OUTLIER 77.75 21.99 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.77 159.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.17 167.27 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.5 m -74.34 -2.29 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -137.66 55.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -149.72 144.62 26.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -57.8 129.86 43.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.2 m -65.49 127.82 33.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.83 152.34 58.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.471 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.5 Cg_endo -75.0 166.98 28.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -75.01 131.25 23.59 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.007 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.493 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -75.23 163.26 69.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.493 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 -33.08 4.27 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.982 0.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 48.62 93.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 1.4 t 179.78 125.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.68 66.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.418 ' OD1' ' CG2' ' A' ' 127' ' ' VAL . 0.2 OUTLIER 168.39 112.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.1 Cg_endo -75.05 79.9 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.55 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.07 108.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 m -94.91 -176.75 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.21 89.77 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.427 ' CG ' ' NH1' ' A' ' 126' ' ' ARG . 32.0 t80 -97.46 136.1 38.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.55 141.18 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.86 -43.99 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.1 166.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.55 30.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -155.61 -67.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 7.1 t -136.69 -149.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.44 56.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 m -94.36 138.29 32.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.3 p90 -145.49 173.46 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 140.24 54.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.453 ' HG2' ' CD2' ' A' ' 128' ' ' LEU . 5.8 tmm_? -153.7 118.73 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.418 ' CG2' ' OD1' ' A' ' 109' ' ' ASP . 7.2 p -134.89 12.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 126' ' ' ARG . 1.4 pp -69.98 83.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.9 p -163.53 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 74.59 -173.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.0 t30 42.69 46.64 4.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 t -101.59 153.29 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.05 173.2 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.5 m -74.84 57.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -145.36 -45.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.65 163.3 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.48 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 69.2 p -68.47 165.31 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.8 p -61.16 144.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.96 79.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.483 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -62.1 0.04 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.992 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -164.41 163.44 14.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 -43.82 0.64 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.973 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -162.35 -60.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.27 177.54 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 p -56.19 -53.74 53.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.33 108.01 0.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.04 8.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 -4.38 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.36 139.5 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -173.9 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.62 88.51 7.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.648 ' CZ ' ' CD2' ' A' ' 128' ' ' LEU . 13.6 t80 -100.67 136.83 39.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 10.8 m -90.65 131.16 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -94.89 -39.53 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -65.4 176.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -93.98 32.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.15 -72.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 1.1 m -137.92 -146.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . 80.52 59.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 65.3 m -92.74 130.9 38.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.48 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 23.7 p90 -146.08 172.91 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.61 113.1 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -152.28 151.58 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.8 68.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.648 ' CD2' ' CZ ' ' A' ' 115' ' ' TYR . 3.0 pp -85.07 -40.97 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -54.71 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER 78.3 158.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 1.5 m-20 160.63 -59.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.82 147.23 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.11 -87.94 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.479 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.8 m -165.58 55.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 -45.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 163.67 27.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 83.2 p -86.65 160.81 18.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 6.0 p -135.1 178.71 6.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -136.93 154.56 76.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.468 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.98 167.28 27.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.468 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 143.57 78.22 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.997 0.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -93.72 163.41 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.03 174.4 52.9 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.54 46.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.08 174.49 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -73.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.08 130.11 5.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 2.79 15.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.78 137.23 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.4 179.55 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 79.6 m -86.93 106.79 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -127.57 144.35 51.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 143.13 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -94.76 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.84 164.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.02 35.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.7 -71.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 6.1 t -136.94 -148.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 77.35 60.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 39.8 m -95.16 128.44 41.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.4 p90 -146.11 -177.13 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.94 129.28 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.71 147.57 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.426 ' CG2' ' N ' ' A' ' 128' ' ' LEU . 2.8 p -126.57 165.06 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' A' ' 127' ' ' VAL . 2.3 mp -155.35 142.43 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.83 -160.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -161.6 -159.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.4 t30 72.26 -60.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.269 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.4 t -95.11 160.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -119.06 177.9 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.492 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.7 m -75.14 55.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -145.25 17.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -143.21 145.08 32.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.486 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 78.9 p -87.79 169.89 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.1 m -47.02 117.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.09 153.08 52.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.481 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.95 167.43 27.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.481 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.0 -37.27 2.29 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.985 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 78.89 163.17 0.13 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.99 129.67 19.26 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.415 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -81.37 -166.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.413 ' HB3' ' CB ' ' A' ' 112' ' ' ALA . 1.3 m 67.06 140.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -74.11 -65.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 108' ' ' CYS . 0.6 OUTLIER -40.21 127.37 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 0.68 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.242 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 107' ' ' CYS . . . -76.1 130.1 37.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.43 -173.05 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.6 114.74 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 37.2 t80 -118.82 135.88 54.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -112.95 132.56 55.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -94.81 -43.61 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.85 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.71 28.71 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.74 -67.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 3.9 m -136.88 -145.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.15 53.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.6 129.46 41.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.355 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.3 p90 -145.85 174.26 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.77 138.09 30.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -177.07 137.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.6 p -120.38 106.05 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.8 mt -70.34 -63.37 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.1 m -39.78 -47.5 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 76.54 -70.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -73.76 63.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.8 t -86.7 141.24 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 96' ' ' THR . . . -90.07 -94.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 96' ' ' THR . 2.6 m -164.57 43.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.14 28.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -135.39 143.46 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 76.2 p -55.04 160.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 123' ' ' CYS . 5.2 m -54.1 154.26 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.5 89.01 6.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.477 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.02 167.31 27.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 128.06 15.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -75.08 163.42 68.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 150.9 96.19 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.032 -2.486 . . . . 0.0 110.972 0.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.33 66.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.27 157.14 45.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.337 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -63.58 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.42 133.81 95.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.92 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.46 1.54 15.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.38 132.36 34.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.85 159.76 39.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 112.7 20.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.522 ' CZ ' ' O ' ' A' ' 116' ' ' CYS . 41.7 t80 -144.65 162.23 37.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.522 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.17 139.88 42.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -16.78 12.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 119' ' ' PHE . 23.9 t80 -50.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 159.03 -23.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.56 -45.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.45 -154.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 69.21 59.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 100' ' ' CYS . 5.4 m -95.45 124.16 39.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 126' ' ' ARG . 11.3 p90 -146.26 -176.18 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 125.04 24.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -156.61 131.81 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.03 -32.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.468 HD13 ' CZ ' ' A' ' 126' ' ' ARG . 1.5 tp 45.74 91.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.88 132.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 132' ' ' CYS . 0.6 OUTLIER -77.87 -74.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.2 t30 70.2 -61.35 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 130' ' ' LEU . 32.1 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 108.303 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.1 t -145.12 158.36 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.78 -78.76 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 t -170.15 32.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.459 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -125.88 -42.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.89 152.71 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 60.1 p -97.94 168.63 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.85 156.35 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.281 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 94.42 32.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.479 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.17 27.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 125.33 11.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.034 -0.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 57.69 163.19 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.97 -171.43 9.37 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.963 0.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.14 -78.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.93 179.76 1.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.1 137.64 84.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.67 8.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.08 0.17 18.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 127' ' ' VAL . . . -105.79 119.71 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.37 171.4 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.2 m -84.78 93.22 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.312 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -110.0 147.94 32.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 128.46 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 8.19 19.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.552 ' O ' ' CG ' ' A' ' 119' ' ' PHE . 29.2 t80 -71.94 -67.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER 159.28 -24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -138.77 -45.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.3 -149.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 66.82 61.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 33.9 m -94.62 126.46 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.463 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 22.5 p90 -145.73 178.87 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.66 137.99 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.449 ' CG ' HD21 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -155.73 123.38 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 127' ' ' VAL . 2.5 p -141.06 48.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.449 HD21 ' CG ' ' A' ' 126' ' ' ARG . 2.5 pp -70.91 121.23 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.2 t 71.41 133.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.99 -160.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 44.95 60.19 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 108.288 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 3.2 t -118.55 143.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.82 -172.93 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 96' ' ' THR . 8.1 t -75.31 56.27 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 ttt-85 -145.2 -47.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.442 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 18.4 t-20 -80.0 153.11 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.472 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 27.7 p -91.2 157.13 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -131.52 160.38 35.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.436 ' N ' ' SG ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER -131.87 99.52 16.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.486 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 167.33 27.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.773 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.98 128.13 15.78 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.988 -0.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 63.89 162.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 165.87 84.79 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.963 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.6 -173.52 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.83 166.65 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -59.59 138.33 89.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.81 8.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.448 ' CB ' HG23 ' A' ' 127' ' ' VAL . 42.2 m -107.64 -1.9 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.333 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.64 129.53 49.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.74 168.94 18.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 99.52 12.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.562 ' CD2' HD21 ' A' ' 128' ' ' LEU . 34.7 t80 -128.49 156.81 42.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.523 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.89 135.86 49.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.363 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.578 ' NE ' ' HH ' ' A' ' 124' ' ' TYR . 9.1 ptt180 -94.9 -35.95 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -55.93 175.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -101.85 27.73 6.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -66.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -136.76 -147.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 75.81 56.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.3 m -95.14 119.41 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 108.298 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.578 ' HH ' ' NE ' ' A' ' 117' ' ' ARG . 4.1 p90 -146.12 -179.55 6.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 146.09 53.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -179.68 150.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.448 HG23 ' CB ' ' A' ' 111' ' ' CYS . 3.1 p -123.12 65.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 115' ' ' TYR . 1.8 pp -84.57 80.82 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -149.82 -49.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 76.87 -79.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 36.4 p30 -73.02 61.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 108.317 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 75.1 t -115.46 134.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.56 -174.13 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 96' ' ' THR . 6.8 t -75.54 55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.51 19.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 28.9 t-20 -149.46 136.54 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 91.7 p -65.41 155.88 34.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.0 p -64.23 115.71 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 150.0 43.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.444 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.93 164.34 33.63 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.03 133.05 29.69 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.981 0.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -74.7 163.2 69.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.94 -15.52 22.06 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.012 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 50.73 57.74 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -164.3 129.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.95 121.61 15.68 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.73 8.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -112.96 3.05 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.352 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.12 140.39 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 65.3 m -144.95 -174.94 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -85.37 116.33 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -138.93 142.63 38.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.81 138.41 43.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -117.65 -8.76 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 23.6 t80 -56.7 -68.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 160.61 -24.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 -45.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.3 p -135.24 -151.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 69.28 57.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.46 129.61 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.462 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 7.3 p90 -145.33 -178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 136.43 57.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 127' ' ' VAL . 17.0 tpt180 -170.97 148.35 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 13.9 p -128.49 137.57 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.18 63.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.6 p -167.68 171.88 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.1 mt -154.05 117.73 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.7 t30 177.84 -44.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.305 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 95' ' ' ALA . 94.5 t -109.32 -107.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.441 ' N ' ' CG1' ' A' ' 94' ' ' VAL . . . -155.3 -94.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.0 t -164.86 29.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -145.19 45.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -135.61 132.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.5 p -46.5 158.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 123' ' ' CYS . 4.4 m -58.49 117.87 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.69 86.52 29.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.469 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 167.17 27.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.469 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 136.74 46.63 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.998 0.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -74.84 163.46 68.02 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.04 -173.39 12.26 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.953 0.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.95 -73.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -43.82 146.17 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.423 ' N ' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.14 -43.04 79.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.79 113.04 1.24 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.2 Cg_endo -75.03 78.73 2.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.31 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.31 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.64 115.33 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.64 99.07 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CE1' ' O ' ' A' ' 116' ' ' CYS . 16.4 t80 -125.23 146.45 49.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.448 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -111.81 145.48 39.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -48.33 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 7.7 t80 -57.12 168.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.41 ' N ' ' CD1' ' A' ' 118' ' ' PHE . 9.7 m-85 -94.92 37.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.75 -71.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.87 -149.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 77.49 51.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 m -94.72 129.46 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.4 p90 -146.38 -179.26 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.82 124.95 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.345 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -158.74 140.55 13.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.9 p -99.91 -31.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.8 101.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.1 137.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -77.6 173.41 12.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 5.2 t-20 81.53 -58.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.42 134.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.57 168.77 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.4 m -74.43 59.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -145.48 -44.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.11 152.3 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 41.1 p -61.09 163.27 6.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.43 137.5 33.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.13 152.58 47.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.472 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.97 166.83 28.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.593 1.839 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 0.4 16.58 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.006 -0.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 62.56 162.94 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.95 -34.95 3.1 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.017 -0.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' PRO . . . 40.4 38.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.88 166.37 11.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.274 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.89 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.95 137.58 57.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 1.07 8.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.87 6.23 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.66 33.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.03 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.3 t -88.05 110.62 20.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 126' ' ' ARG . 45.7 t80 -112.48 136.0 52.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -114.88 135.28 54.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -94.7 -45.24 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.48 ' CD2' ' N ' ' A' ' 119' ' ' PHE . 39.9 t80 -49.0 172.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.48 ' N ' ' CD2' ' A' ' 118' ' ' PHE . 0.4 OUTLIER -34.07 -59.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.446 ' O ' ' NE ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -156.68 22.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.15 -170.12 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . 62.58 58.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.8 m -93.68 134.87 35.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 108.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 6.2 p90 -145.87 178.0 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.8 t -60.87 136.18 58.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.471 ' HA ' ' CG2' ' A' ' 96' ' ' THR . 2.9 tpt180 -175.39 136.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.3 p -111.2 -39.97 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 129' ' ' SER . 5.1 mt 65.66 133.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 0.1 OUTLIER 79.27 -54.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 77.35 -173.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.9 m120 48.47 58.05 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 108.256 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG21 ' CB ' ' A' ' 98' ' ' ASN . 1.7 p -105.28 153.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 96' ' ' THR . . . -118.21 67.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 96' ' ' THR . 2.7 m 36.17 38.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.14 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.412 ' CB ' HG21 ' A' ' 94' ' ' VAL . 1.8 t-20 -140.9 151.16 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 p -57.44 158.7 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 150.53 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.24 80.22 13.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.486 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.99 167.2 27.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 -41.3 1.02 Allowed 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.016 -0.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -147.28 163.27 29.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 130.43 21.26 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.988 0.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.34 86.28 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.412 ' CB ' ' CB ' ' A' ' 112' ' ' ALA . 34.5 m 72.45 140.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.261 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -44.97 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -81.52 135.8 49.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.1 8.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.43 1.753 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 130' ' ' LEU . 4.0 m -114.25 3.77 15.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.412 ' CB ' ' CB ' ' A' ' 107' ' ' CYS . . . -90.51 151.9 21.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -142.33 177.9 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.98 119.33 27.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -131.05 135.3 47.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -110.68 141.6 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -47.54 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -51.75 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.07 32.53 2.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.51 -68.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.72 -149.22 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.04 52.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -94.63 133.47 38.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.512 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 3.0 p90 -145.22 176.25 9.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.6 140.04 58.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 108.283 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.461 ' HA ' ' CG2' ' A' ' 96' ' ' THR . 2.0 ttt180 -168.16 144.41 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 p -136.96 93.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.1 -75.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.88 -56.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 111' ' ' CYS . 0.0 OUTLIER 73.7 175.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -121.3 7.98 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.28 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.414 ' N ' ' SG ' ' A' ' 93' ' ' CYS . 63.7 t -100.53 156.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.74 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 t -173.12 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -107.22 78.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -149.7 126.11 10.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -53.45 154.28 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.1 154.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 72.18 14.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.98 167.42 27.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.97 -28.25 7.67 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.024 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -144.88 163.08 35.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 -170.65 8.45 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.961 -0.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.65 -57.49 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 0.1 OUTLIER 174.48 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 4.7 t 84.72 -67.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.93 153.4 43.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.28 7.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.87 -0.42 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 107' ' ' CYS . . . -106.39 100.65 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 160.52 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 m -84.56 108.95 17.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -128.45 156.06 43.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 140.27 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.51 -22.85 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.544 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 30.8 t80 -44.11 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 157.97 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -134.82 -46.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.4 p -135.19 -156.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 73.97 56.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.3 m -94.2 126.2 39.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.09 -179.18 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.2 133.66 15.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 108.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 114.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 1.5 p -111.48 -35.7 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 64.4 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 49.6 m -60.83 174.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.0 mt -154.1 127.0 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 167.96 -52.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.331 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.412 ' CG1' ' SG ' ' A' ' 125' ' ' CYS . 4.9 t -84.98 154.0 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.67 -90.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -176.51 37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -145.12 42.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -159.57 135.03 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 p -39.22 121.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 148.78 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -141.81 82.56 13.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.474 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.06 167.31 27.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -63.15 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.971 0.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.497 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -86.39 163.52 41.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.02 -1.86 18.27 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.98 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 105' ' ' PRO . . . 81.51 169.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 4.8 m -93.34 47.3 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 0.1 OUTLIER 84.61 -52.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.95 138.69 19.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.02 8.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 95.1 m -102.46 -4.65 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 108.262 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -79.52 144.12 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.8 m -144.1 -174.55 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.92 118.58 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.249 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -120.75 125.93 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 127.55 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.85 -27.72 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.562 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 31.3 t80 -43.64 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 0.9 OUTLIER 158.19 -23.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.67 -45.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.9 -158.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . 73.47 54.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.2 m -94.71 136.91 34.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.19 177.76 8.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.412 ' SG ' ' CG1' ' A' ' 94' ' ' VAL . 13.3 m -50.48 129.51 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.84 123.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.57 139.94 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.17 62.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.79 -166.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.36 -165.8 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 73.69 -62.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 108.259 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.87 160.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 96' ' ' THR . . . -91.54 -2.79 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.532 ' CB ' ' O ' ' A' ' 95' ' ' ALA . 3.9 m 84.39 55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 98' ' ' ASN . 1.1 ptm180 -145.71 -40.48 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 0.8 OUTLIER -74.42 167.29 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 p -55.32 160.46 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.1 122.77 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -93.08 152.93 41.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.488 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -75.07 -2.56 19.07 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.991 0.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 57.97 163.16 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.01 -39.14 1.52 Allowed 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.006 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.59 38.37 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.01 160.74 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.367 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.67 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -86.75 124.6 68.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.88 8.38 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -110.12 -0.07 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 108.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.458 ' CB ' HG23 ' A' ' 96' ' ' THR . . . -90.2 132.68 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.85 -179.03 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 91.2 m -85.7 101.31 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.534 ' CD2' HD21 ' A' ' 128' ' ' LEU . 6.4 t80 -115.23 133.91 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.05 144.0 40.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 108.287 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -61.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.87 164.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.76 36.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -155.64 -70.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 3.9 t -136.77 -149.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.4 57.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 28.0 m -94.79 135.9 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 108.265 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -145.53 179.04 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 131.08 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.457 ' HB3' ' CD2' ' A' ' 128' ' ' LEU . 0.7 OUTLIER -175.66 151.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.0 p -125.03 83.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 115' ' ' TYR . 4.1 mm? -84.92 54.34 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.03 123.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.97 131.83 34.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -170.45 41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 95' ' ' ALA . 11.9 t -101.18 145.82 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.405 ' N ' HG11 ' A' ' 94' ' ' VAL . . . -94.72 -92.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 t -174.78 56.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -145.38 -44.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -74.24 146.82 42.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -58.35 165.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 t -44.83 143.27 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 108.239 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.05 147.93 36.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.472 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.65 26.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.04 -61.16 0.05 OUTLIER 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.984 0.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 78.91 163.16 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.96 129.6 19.05 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.068 -2.472 . . . . 0.0 111.013 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.418 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -157.19 -61.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 36.8 t 44.37 30.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 2.7 t 85.02 -70.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.339 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.87 145.56 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.57 1.49 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.457 ' CB ' ' HB ' ' A' ' 127' ' ' VAL . . . -116.16 132.91 56.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 m -144.26 170.95 15.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 4.2 p -84.61 108.66 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 73.0 t80 -130.73 158.45 40.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.43 137.41 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.425 ' NE ' ' OH ' ' A' ' 124' ' ' TYR . 15.7 ptt180 -94.73 -33.16 13.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.72 176.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -102.53 29.79 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 -68.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.1 OUTLIER -137.09 -155.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 84.63 44.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.41 119.08 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 7.3 p90 -146.02 168.32 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.5 142.41 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 178.68 156.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 127' ' ' VAL . 1.3 p -131.67 7.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' VAL . 0.7 OUTLIER 39.11 40.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.88 -72.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.3 mt 73.86 177.8 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.83 12.0 18.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 108.28 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.9 p -85.86 -178.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.95 -100.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -170.21 31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -115.58 -27.05 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -74.82 152.93 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.421 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 52.2 p -51.46 168.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 29.1 t -119.0 131.78 56.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.236 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 92.8 5.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.48 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.96 166.84 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.05 -60.06 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.998 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -95.15 163.13 22.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.99 166.32 83.59 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.24 28.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.54 164.97 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.9 m -54.93 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 9.8 m-20 -66.61 123.78 86.67 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.81 8.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.31 2.49 14.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' A' ' 109' ' ' ASP . . . -84.28 125.08 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.14 -174.82 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.76 84.65 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.339 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -104.11 138.73 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 144.28 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 -48.86 5.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -55.99 164.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.89 36.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -155.72 -71.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 3.6 m -136.94 -149.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.93 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 77.92 51.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.42 130.08 40.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.36 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.5 p90 -146.22 -174.89 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 121.9 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.32 128.16 5.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 129' ' ' SER . 2.8 p -87.12 -38.02 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 127' ' ' VAL . 0.4 OUTLIER 39.85 31.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 127' ' ' VAL . 0.3 OUTLIER 74.59 -57.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 mt 71.98 -165.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -89.51 11.75 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.279 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.1 t -100.74 162.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' THR . . . -124.17 67.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 96' ' ' THR . 1.7 m 35.72 53.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -145.56 -44.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -74.68 149.53 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.475 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 3.9 m -75.89 159.66 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.58 125.2 26.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.15 84.24 8.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.479 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 166.79 28.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.07 -64.42 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.98 0.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.469 ' HA ' ' C ' ' A' ' 105' ' ' PRO . . . -95.72 162.19 25.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.94 157.76 99.4 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.001 -0.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.88 119.6 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.17 134.41 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -73.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -40.26 108.8 0.55 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.4 Cg_endo -74.99 82.92 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.64 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.78 113.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 173.67 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 59.6 m -85.47 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.425 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 15.9 t80 -100.91 134.88 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -110.72 141.29 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -94.9 -43.86 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.05 170.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.93 32.06 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -155.67 -68.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.68 -149.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.32 53.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.31 134.7 36.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.475 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 11.3 p90 -145.7 178.77 7.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.76 134.04 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.29 122.74 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.3 p -134.29 38.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 128' ' ' LEU . 3.3 pp -74.42 58.86 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.37 129.68 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.939 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.5 -159.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 40.88 62.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.0 t -93.94 154.85 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.14 -82.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 96' ' ' THR . 1.4 t -164.69 46.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.6 -40.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.53 141.45 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.472 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 94.0 p -49.62 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.19 136.66 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -123.32 146.52 49.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.03 160.49 40.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 0.96 16.11 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.008 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . 79.3 162.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.02 -3.77 19.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.025 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 72.68 -71.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -41.82 133.52 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 28.2 p -55.18 -40.31 70.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.343 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -44.32 107.92 0.66 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.5 Cg_endo -74.96 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.8 p 157.48 -24.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.14 122.73 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.5 p -116.07 177.68 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.59 87.38 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 108.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -103.0 137.72 40.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 143.09 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -94.81 -49.38 5.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.01 163.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.52 34.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.66 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -136.66 -149.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 78.16 52.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.8 m -94.24 132.9 38.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 108.31 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.0 p90 -145.82 177.73 8.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.02 132.03 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.471 ' CG ' ' HG ' ' A' ' 128' ' ' LEU . 0.6 OUTLIER -173.97 136.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 1.3 p -113.76 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.471 ' HG ' ' CG ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER 78.49 -76.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.49 124.14 14.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.23 135.55 33.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 170.88 -41.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 110' ' ' PRO . 86.9 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 108.3 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG2' ' SG ' ' A' ' 107' ' ' CYS . 17.2 m -92.92 -163.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.61 -70.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 t -171.89 47.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -44.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 160.71 30.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.469 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 77.2 p -68.79 162.78 25.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.94 142.47 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -124.33 75.46 61.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.47 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.97 167.19 27.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.47 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.04 -45.18 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.97 0.05 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 105' ' ' PRO . . . -145.24 163.49 32.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 143.33 77.48 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.014 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.69 174.2 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 94' ' ' VAL . 15.0 m -58.14 178.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -50.16 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 113.35 12.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.06 8.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 95.6 m -111.02 -0.03 16.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -89.39 130.63 35.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.96 168.81 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 t -84.88 97.03 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 108.34 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -119.16 141.7 48.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -109.86 143.66 39.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -51.59 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -50.96 168.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.45 35.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -70.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 3.3 t -136.87 -149.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 121' ' ' SER . . . 77.81 55.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.9 m -94.43 130.51 40.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.343 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.469 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 8.7 p90 -146.06 -178.26 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 131.59 43.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -162.82 134.32 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.2 -34.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 66.45 100.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.35 132.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.98 167.89 15.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 p30 177.85 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG11 ' SG ' ' A' ' 125' ' ' CYS . 2.7 t -145.05 149.58 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.34 -100.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 t -164.6 40.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.07 41.64 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.594 1.184 . . . . 0.0 110.25 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -134.85 132.13 38.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 p -78.87 136.86 37.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.607 1.192 . . . . 0.0 110.134 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.7 p -165.39 -177.18 4.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 108.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 6.1 mtpt -143.58 143.17 22.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 167.37 27.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.488 1.783 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.82 -62.82 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.028 -0.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.67 164.27 61.74 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.562 1.164 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.812 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.07 -0.27 17.28 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.025 -0.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 83.28 -161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 84.7 m -141.02 61.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.2 m 67.99 -72.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 108.377 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' CYS . 2.3 m-20 -85.11 147.52 47.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.83 8.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 127' ' ' VAL . 17.6 t -105.61 -8.58 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 108.232 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -95.19 111.0 22.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.62 162.2 18.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.6 95.61 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.264 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.568 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 40.1 t80 -125.49 165.41 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.568 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.13 137.62 45.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 117' ' ' ARG . 0.2 OUTLIER -125.39 1.26 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -114.5 170.9 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.046 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.11 12.67 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.84 9.31 36.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.202 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.62 17.51 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.501 ' O ' ' CE2' ' A' ' 124' ' ' TYR . . . -74.25 94.34 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.215 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.8 m -94.77 120.09 34.43 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.346 1.029 . . . . 0.0 108.35 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 6.0 p90 -145.14 -179.84 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.577 ' SG ' HG11 ' A' ' 94' ' ' VAL . 6.9 m -46.16 131.61 10.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.762 ' CD ' HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -177.14 126.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.056 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.592 HG22 ' OG ' ' A' ' 129' ' ' SER . 3.1 p -98.85 -38.06 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.413 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.762 HD12 ' CD ' ' A' ' 126' ' ' ARG . 0.2 OUTLIER 56.13 57.07 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.592 ' OG ' HG22 ' A' ' 127' ' ' VAL . 93.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.78 131.99 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.48 170.33 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.736 ' O ' HG22 ' A' ' 96' ' ' THR . 1.5 m -73.34 57.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.23 -45.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 152.3 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.475 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 89.0 p -81.82 164.46 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.9 p -161.91 173.9 13.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -143.29 131.82 11.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 -62.8 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.03 163.91 20.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.773 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -171.65 9.68 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.978 -0.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.95 -161.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 179.18 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.1 t -55.05 -68.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -72.21 140.7 82.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.35 2.68 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -91.95 126.67 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 t -134.51 176.89 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.7 m -84.77 88.85 7.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.267 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -105.26 145.37 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.01 142.32 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -53.41 175.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.85 32.92 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.67 -69.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.75 -149.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.4 51.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.2 m -94.67 128.9 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.6 p90 -145.94 172.38 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 132.22 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.582 ' HA ' HG23 ' A' ' 96' ' ' THR . 9.0 ttt180 170.38 156.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.453 ' N ' ' CG ' ' A' ' 126' ' ' ARG . 1.7 p -124.0 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' SER . 77.2 mt -154.24 107.89 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.77 159.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.17 167.27 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.5 m -74.34 -2.29 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -137.66 55.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -149.72 144.62 26.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -57.8 129.86 43.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.2 m -65.49 127.82 33.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.83 152.34 58.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.5 Cg_endo -75.0 166.98 28.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 106' ' ' ALA . 18.1 Cg_endo -75.01 131.25 23.59 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.007 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.762 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.23 163.26 69.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.762 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 -33.08 4.27 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.982 0.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 103' ' ' PRO . . . 48.62 93.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 1.4 t 179.78 125.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.68 66.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.81 ' OD1' HG21 ' A' ' 127' ' ' VAL . 0.2 OUTLIER 168.39 112.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.1 Cg_endo -75.05 79.9 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.55 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.07 108.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 m -94.91 -176.75 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.21 89.77 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.427 ' CG ' ' NH1' ' A' ' 126' ' ' ARG . 32.0 t80 -97.46 136.1 38.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.55 141.18 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.86 -43.99 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.1 166.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.55 30.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -155.61 -67.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 7.1 t -136.69 -149.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.44 56.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 m -94.36 138.29 32.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.3 p90 -145.49 173.46 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 140.24 54.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.456 ' HG2' HD23 ' A' ' 128' ' ' LEU . 5.8 tmm_? -153.7 118.73 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.81 HG21 ' OD1' ' A' ' 109' ' ' ASP . 7.2 p -134.89 12.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 128' ' ' LEU . 1.4 pp -69.98 83.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.9 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 t -101.59 153.29 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.05 173.2 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.5 m -74.84 57.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -145.36 -45.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.65 163.3 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 69.2 p -68.47 165.31 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.8 p -61.16 144.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.96 79.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -62.1 0.04 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.992 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -164.41 163.44 14.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.756 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 -43.82 0.64 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.973 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -162.35 -60.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.27 177.54 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 p -56.19 -53.74 53.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 4.7 m-20 -52.33 108.01 0.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.04 8.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 -4.38 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 109' ' ' ASP . . . -108.36 139.5 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -173.9 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.62 88.51 7.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.682 ' CE1' HD21 ' A' ' 128' ' ' LEU . 13.6 t80 -100.67 136.83 39.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 10.8 m -90.65 131.16 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -94.89 -39.53 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -65.4 176.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -93.98 32.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.15 -72.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.647 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.1 m -137.92 -146.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 80.52 59.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 115' ' ' TYR . 65.3 m -92.74 130.9 38.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.465 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 23.7 p90 -146.08 172.91 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.61 113.1 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.939 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -152.28 151.58 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.7 p -136.8 68.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.682 HD21 ' CE1' ' A' ' 115' ' ' TYR . 3.0 pp -85.07 -40.97 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.499 ' N ' HD12 ' A' ' 128' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.82 147.23 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.11 -87.94 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.874 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.8 m -165.58 55.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 -45.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 163.67 27.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 83.2 p -86.65 160.81 18.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 6.0 p -135.1 178.71 6.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -136.93 154.56 76.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.98 167.28 27.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 143.57 78.22 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.997 0.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.757 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -93.72 163.41 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.757 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.03 174.4 52.9 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.54 46.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.08 174.49 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -73.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.08 130.11 5.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 2.79 15.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.78 137.23 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.4 179.55 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 79.6 m -86.93 106.79 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -127.57 144.35 51.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -108.24 143.13 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -94.76 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.84 164.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.02 35.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.7 -71.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 6.1 t -136.94 -148.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.35 60.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 39.8 m -95.16 128.44 41.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.4 p90 -146.11 -177.13 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.94 129.28 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.874 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -157.71 147.57 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 128' ' ' LEU . 2.8 p -126.57 165.06 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 127' ' ' VAL . 2.3 mp -155.35 142.43 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 95' ' ' ALA . 69.4 t -95.11 160.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.405 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -119.06 177.9 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.722 ' O ' HG22 ' A' ' 96' ' ' THR . 1.7 m -75.14 55.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -145.25 17.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -143.21 145.08 32.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 78.9 p -87.79 169.89 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.1 m -47.02 117.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.09 153.08 52.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.95 167.43 27.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.618 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.0 -37.27 2.29 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.985 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 78.89 163.17 0.13 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.752 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.99 129.67 19.26 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.436 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -81.37 -166.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 1.3 m 67.06 140.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -74.11 -65.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -40.21 127.37 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 0.68 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.242 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -76.1 130.1 37.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.43 -173.05 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.6 114.74 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 37.2 t80 -118.82 135.88 54.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -112.95 132.56 55.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -94.81 -43.61 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.85 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.71 28.71 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.74 -67.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.9 m -136.88 -145.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.15 53.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.6 129.46 41.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.355 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.3 p90 -145.85 174.26 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.77 138.09 30.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -177.07 137.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 127' ' ' VAL . 14.6 p -120.38 106.05 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.8 mt -70.34 -63.37 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.1 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.014 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.8 t -86.7 141.24 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 96' ' ' THR . . . -90.07 -94.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.729 ' O ' HG22 ' A' ' 96' ' ' THR . 2.6 m -164.57 43.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.14 28.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -135.39 143.46 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 76.2 p -55.04 160.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 123' ' ' CYS . 5.2 m -54.1 154.26 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -144.5 89.01 6.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.02 167.31 27.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 128.06 15.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.08 163.42 68.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.759 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 150.9 96.19 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.032 -2.486 . . . . 0.0 110.972 0.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 101' ' ' LYS . . . -145.33 66.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -142.27 157.14 45.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.337 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -63.58 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.42 133.81 95.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.92 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.46 1.54 15.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 107' ' ' CYS . . . -85.38 132.36 34.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.85 159.76 39.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 112.7 20.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.522 ' CZ ' ' O ' ' A' ' 116' ' ' CYS . 41.7 t80 -144.65 162.23 37.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.522 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.17 139.88 42.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -16.78 12.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 119' ' ' PHE . 23.9 t80 -50.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 159.03 -23.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.56 -45.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -133.45 -154.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 69.21 59.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 100' ' ' CYS . 5.4 m -95.45 124.16 39.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 126' ' ' ARG . 11.3 p90 -146.26 -176.18 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 125.04 24.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.657 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -156.61 131.81 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.03 -32.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' A' ' 126' ' ' ARG . 1.5 tp 45.74 91.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.1 t -145.12 158.36 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.78 -78.76 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 t -170.15 32.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.459 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -125.88 -42.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.89 152.71 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 60.1 p -97.94 168.63 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.85 156.35 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.281 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 94.42 32.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.17 27.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 125.33 11.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.034 -0.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.748 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 57.69 163.19 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.748 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.97 -171.43 9.37 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.963 0.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.14 -78.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.93 179.76 1.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.1 137.64 84.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.67 8.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.08 0.17 18.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.545 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -105.79 119.71 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.37 171.4 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.2 m -84.78 93.22 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.312 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -110.0 147.94 32.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 128.46 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 8.19 19.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.662 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 29.2 t80 -71.94 -67.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER 159.28 -24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -138.77 -45.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -135.3 -149.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 66.82 61.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 33.9 m -94.62 126.46 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.456 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 22.5 p90 -145.73 178.87 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.66 137.99 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.464 ' CG ' HD23 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -155.73 123.38 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 127' ' ' VAL . 2.5 p -141.06 48.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.464 HD23 ' CG ' ' A' ' 126' ' ' ARG . 2.5 pp -70.91 121.23 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 98' ' ' ASN . 3.2 t -118.55 143.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.82 -172.93 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 96' ' ' THR . 8.1 t -75.31 56.27 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 ttt-85 -145.2 -47.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.598 ' HB3' HG13 ' A' ' 94' ' ' VAL . 18.4 t-20 -80.0 153.11 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.464 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 27.7 p -91.2 157.13 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -131.52 160.38 35.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.436 ' N ' ' SG ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER -131.87 99.52 16.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 167.33 27.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.773 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.98 128.13 15.78 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.988 -0.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 63.89 162.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.745 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 165.87 84.79 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.963 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.6 -173.52 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -100.83 166.65 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -59.59 138.33 89.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.81 8.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.547 ' O ' HG23 ' A' ' 127' ' ' VAL . 42.2 m -107.64 -1.9 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.333 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 107' ' ' CYS . . . -102.64 129.53 49.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.74 168.94 18.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 99.52 12.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.768 ' CD2' HD21 ' A' ' 128' ' ' LEU . 34.7 t80 -128.49 156.81 42.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.523 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.89 135.86 49.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.363 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -94.9 -35.95 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.422 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 2.3 t80 -55.93 175.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -101.85 27.73 6.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -66.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 8.5 t -136.76 -147.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 75.81 56.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.3 m -95.14 119.41 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 108.298 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.464 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 4.1 p90 -146.12 -179.55 6.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 146.09 53.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -179.68 150.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 111' ' ' CYS . 3.1 p -123.12 65.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 115' ' ' TYR . 1.8 pp -84.57 80.82 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 75.1 t -115.46 134.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.56 -174.13 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 96' ' ' THR . 6.8 t -75.54 55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.51 19.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.427 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 28.9 t-20 -149.46 136.54 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 91.7 p -65.41 155.88 34.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.0 p -64.23 115.71 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 150.0 43.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.53 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.93 164.34 33.63 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 106' ' ' ALA . 18.2 Cg_endo -75.03 133.05 29.69 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.981 0.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -74.7 163.2 69.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.752 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.94 -15.52 22.06 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.012 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 103' ' ' PRO . . . 50.73 57.74 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -164.3 129.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.95 121.61 15.68 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.73 8.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -112.96 3.05 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.352 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.12 140.39 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 65.3 m -144.95 -174.94 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -85.37 116.33 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -138.93 142.63 38.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -106.81 138.41 43.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -117.65 -8.76 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 23.6 t80 -56.7 -68.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 160.61 -24.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 -45.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 25.3 p -135.24 -151.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 69.28 57.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.46 129.61 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.441 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 7.3 p90 -145.33 -178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 136.43 57.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.443 HH11 HG21 ' A' ' 96' ' ' THR . 17.0 tpt180 -170.97 148.35 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 13.9 p -128.49 137.57 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.18 63.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 95' ' ' ALA . 94.5 t -109.32 -107.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.648 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -155.3 -94.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.0 t -164.86 29.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -145.19 45.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.557 ' HB3' HG11 ' A' ' 94' ' ' VAL . 12.2 p-10 -135.61 132.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.5 p -46.5 158.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 123' ' ' CYS . 4.4 m -58.49 117.87 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.69 86.52 29.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 167.17 27.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 136.74 46.63 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.998 0.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -74.84 163.46 68.02 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.04 -173.39 12.26 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.953 0.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.95 -73.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -43.82 146.17 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.423 ' N ' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.14 -43.04 79.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.79 113.04 1.24 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.2 Cg_endo -75.03 78.73 2.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.31 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.31 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.533 ' HB3' ' SG ' ' A' ' 107' ' ' CYS . . . -67.64 115.33 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.64 99.07 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CE1' ' O ' ' A' ' 116' ' ' CYS . 16.4 t80 -125.23 146.45 49.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.448 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -111.81 145.48 39.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -48.33 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 7.7 t80 -57.12 168.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.41 ' N ' ' CD1' ' A' ' 118' ' ' PHE . 9.7 m-85 -94.92 37.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.75 -71.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.87 -149.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.49 51.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 m -94.72 129.46 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.4 p90 -146.38 -179.26 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.82 124.95 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.345 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -158.74 140.55 13.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 111' ' ' CYS . 1.9 p -99.91 -31.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.448 HD22 ' HD2' ' A' ' 126' ' ' ARG . 0.2 OUTLIER 59.8 101.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.42 134.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.57 168.77 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.738 ' O ' HG22 ' A' ' 96' ' ' THR . 1.4 m -74.43 59.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -145.48 -44.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.11 152.3 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 41.1 p -61.09 163.27 6.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.43 137.5 33.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.13 152.58 47.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.97 166.83 28.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.593 1.839 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 0.4 16.58 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.006 -0.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 62.56 162.94 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.95 -34.95 3.1 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.017 -0.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' PRO . . . 40.4 38.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.88 166.37 11.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.274 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.89 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.95 137.58 57.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 1.07 8.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.456 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -117.87 6.23 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.66 33.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.03 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.3 t -88.05 110.62 20.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 126' ' ' ARG . 45.7 t80 -112.48 136.0 52.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -114.88 135.28 54.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -94.7 -45.24 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.48 ' CD2' ' N ' ' A' ' 119' ' ' PHE . 39.9 t80 -49.0 172.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.48 ' N ' ' CD2' ' A' ' 118' ' ' PHE . 0.4 OUTLIER -34.07 -59.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.446 ' O ' ' NE ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -156.68 22.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.15 -170.12 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . 62.58 58.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.8 m -93.68 134.87 35.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 108.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 6.2 p90 -145.87 178.0 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.8 t -60.87 136.18 58.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.625 ' HA ' HG23 ' A' ' 96' ' ' THR . 2.9 tpt180 -175.39 136.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 111' ' ' CYS . 8.3 p -111.2 -39.97 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 129' ' ' SER . 5.1 mt 65.66 133.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.634 HG23 ' HB2' ' A' ' 98' ' ' ASN . 1.7 p -105.28 153.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 96' ' ' THR . . . -118.21 67.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 96' ' ' THR . 2.7 m 36.17 38.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.14 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.634 ' HB2' HG23 ' A' ' 94' ' ' VAL . 1.8 t-20 -140.9 151.16 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 p -57.44 158.7 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 150.53 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.24 80.22 13.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.99 167.2 27.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 -41.3 1.02 Allowed 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.016 -0.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.751 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -147.28 163.27 29.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.751 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 130.43 21.26 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.988 0.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.413 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -84.34 86.28 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.691 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . 34.5 m 72.45 140.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.261 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -44.97 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -81.52 135.8 49.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.1 8.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.43 1.753 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -114.25 3.77 15.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.691 ' HB3' ' CB ' ' A' ' 107' ' ' CYS . . . -90.51 151.9 21.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -142.33 177.9 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.98 119.33 27.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -131.05 135.3 47.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -110.68 141.6 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -47.54 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -51.75 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.07 32.53 2.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.51 -68.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.72 -149.22 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.04 52.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -94.63 133.47 38.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.512 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 3.0 p90 -145.22 176.25 9.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.6 140.04 58.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 108.283 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.609 ' HA ' HG23 ' A' ' 96' ' ' THR . 2.0 ttt180 -168.16 144.41 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 p -136.96 93.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.1 -75.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.432 HG11 ' SG ' ' A' ' 125' ' ' CYS . 63.7 t -100.53 156.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.74 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 t -173.12 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -107.22 78.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -149.7 126.11 10.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -53.45 154.28 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.1 154.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 72.18 14.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.514 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.98 167.42 27.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.97 -28.25 7.67 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.024 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -144.88 163.08 35.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 -170.65 8.45 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.961 -0.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.65 -57.49 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 0.1 OUTLIER 174.48 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 4.7 t 84.72 -67.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.93 153.4 43.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.28 7.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.87 -0.42 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 107' ' ' CYS . . . -106.39 100.65 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 160.52 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 m -84.56 108.95 17.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -128.45 156.06 43.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 140.27 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.51 -22.85 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.544 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 30.8 t80 -44.11 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 157.97 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -134.82 -46.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.546 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 44.4 p -135.19 -156.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.979 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 73.97 56.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.3 m -94.2 126.2 39.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.09 -179.18 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.432 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -48.2 133.66 15.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 108.338 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 114.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 129' ' ' SER . 1.5 p -111.48 -35.7 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 64.4 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 127' ' ' VAL . 49.6 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.635 HG11 ' SG ' ' A' ' 125' ' ' CYS . 4.9 t -84.98 154.0 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.67 -90.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -176.51 37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -145.12 42.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -159.57 135.03 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 p -39.22 121.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 148.78 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -141.81 82.56 13.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.06 167.31 27.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -63.15 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.971 0.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -86.39 163.52 41.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.02 -1.86 18.27 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.98 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 81.51 169.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 4.8 m -93.34 47.3 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 0.1 OUTLIER 84.61 -52.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.95 138.69 19.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.02 8.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 127' ' ' VAL . 95.1 m -102.46 -4.65 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 108.262 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -79.52 144.12 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.8 m -144.1 -174.55 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.92 118.58 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.249 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.491 ' CE1' HD13 ' A' ' 128' ' ' LEU . 15.7 t80 -120.75 125.93 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 127.55 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.85 -27.72 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.562 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 31.3 t80 -43.64 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 0.9 OUTLIER 158.19 -23.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.67 -45.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -132.9 -158.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 73.47 54.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.2 m -94.71 136.91 34.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.19 177.76 8.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.635 ' SG ' HG11 ' A' ' 94' ' ' VAL . 13.3 m -50.48 129.51 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.84 123.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 111' ' ' CYS . 7.2 p -93.57 139.94 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.491 HD13 ' CE1' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -155.17 62.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.87 160.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 96' ' ' THR . . . -91.54 -2.79 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.894 HG22 ' HA ' ' A' ' 126' ' ' ARG . 3.9 m 84.39 55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 98' ' ' ASN . 1.1 ptm180 -145.71 -40.48 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 0.8 OUTLIER -74.42 167.29 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 p -55.32 160.46 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.1 122.77 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -93.08 152.93 41.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.516 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -75.07 -2.56 19.07 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.991 0.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 57.97 163.16 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.01 -39.14 1.52 Allowed 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.006 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.59 38.37 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.01 160.74 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.367 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.67 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 32.5 m-20 -86.75 124.6 68.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.88 8.38 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -110.12 -0.07 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 108.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -90.2 132.68 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.85 -179.03 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 91.2 m -85.7 101.31 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.579 ' CD2' HD23 ' A' ' 128' ' ' LEU . 6.4 t80 -115.23 133.91 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.05 144.0 40.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 108.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -61.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.87 164.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.76 36.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -155.64 -70.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.9 t -136.77 -149.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.4 57.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 28.0 m -94.79 135.9 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 108.265 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -145.53 179.04 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 131.08 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.894 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.7 OUTLIER -175.66 151.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.0 p -125.03 83.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 115' ' ' TYR . 4.1 mm? -84.92 54.34 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.52 HG11 ' SG ' ' A' ' 125' ' ' CYS . 11.9 t -101.18 145.82 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.72 -92.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.4 t -174.78 56.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -145.38 -44.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -74.24 146.82 42.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -58.35 165.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 t -44.83 143.27 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 108.239 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.05 147.93 36.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.65 26.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.618 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.04 -61.16 0.05 OUTLIER 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.984 0.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 78.91 163.16 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.736 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.96 129.6 19.05 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.068 -2.472 . . . . 0.0 111.013 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.447 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -157.19 -61.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 36.8 t 44.37 30.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 2.7 t 85.02 -70.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.339 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.87 145.56 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.482 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.5 OUTLIER -107.57 1.49 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.544 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -116.16 132.91 56.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 m -144.26 170.95 15.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 4.2 p -84.61 108.66 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 73.0 t80 -130.73 158.45 40.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.43 137.41 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.425 ' NE ' ' OH ' ' A' ' 124' ' ' TYR . 15.7 ptt180 -94.73 -33.16 13.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.72 176.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -102.53 29.79 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 -68.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.697 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.1 OUTLIER -137.09 -155.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 84.63 44.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.41 119.08 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 7.3 p90 -146.02 168.32 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.52 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -55.5 142.41 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 178.68 156.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 127' ' ' VAL . 1.3 p -131.67 7.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' VAL . 0.7 OUTLIER 39.11 40.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.638 HG22 ' H ' ' A' ' 95' ' ' ALA . 1.9 p -85.86 -178.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.638 ' H ' HG22 ' A' ' 94' ' ' VAL . . . -84.95 -100.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -170.21 31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -115.58 -27.05 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -74.82 152.93 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 52.2 p -51.46 168.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.401 ' N ' ' HA ' ' A' ' 124' ' ' TYR . 29.1 t -119.0 131.78 56.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.236 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 92.8 5.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.96 166.84 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.05 -60.06 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.998 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.15 163.13 22.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.99 166.32 83.59 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.24 28.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.54 164.97 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.9 m -54.93 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.709 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 9.8 m-20 -66.61 123.78 86.67 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.81 8.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.443 ' HB3' HG23 ' A' ' 127' ' ' VAL . 1.3 m -114.31 2.49 14.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.709 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -84.28 125.08 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.14 -174.82 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.76 84.65 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.339 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -104.11 138.73 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.5 144.28 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 -48.86 5.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -55.99 164.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.89 36.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -155.72 -71.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.6 m -136.94 -149.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.93 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.92 51.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.42 130.08 40.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.36 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.5 p90 -146.22 -174.89 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 121.9 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.32 128.16 5.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 111' ' ' CYS . 2.8 p -87.12 -38.02 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.4 OUTLIER 39.85 31.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 127' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 98' ' ' ASN . 94.1 t -100.74 162.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -124.17 67.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.814 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.7 m 35.72 53.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -145.56 -44.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.46 ' HB2' HG13 ' A' ' 94' ' ' VAL . 14.6 t30 -74.68 149.53 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.459 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 3.9 m -75.89 159.66 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.58 125.2 26.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.15 84.24 8.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 166.79 28.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.07 -64.42 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.98 0.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.72 162.19 25.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.733 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.94 157.76 99.4 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.001 -0.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.88 119.6 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.17 134.41 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -73.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.691 ' OD2' HG11 ' A' ' 127' ' ' VAL . 73.9 m-20 -40.26 108.8 0.55 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.4 Cg_endo -74.99 82.92 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.64 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -49.78 113.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 173.67 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 59.6 m -85.47 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.426 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 15.9 t80 -100.91 134.88 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -110.72 141.29 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -94.9 -43.86 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.05 170.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.93 32.06 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -155.67 -68.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.68 -149.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.32 53.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.31 134.7 36.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 11.3 p90 -145.7 178.77 7.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -61.76 134.04 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.814 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.29 122.74 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.691 HG11 ' OD2' ' A' ' 109' ' ' ASP . 10.3 p -134.29 38.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 128' ' ' LEU . 3.3 pp -74.42 58.86 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.939 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.0 t -93.94 154.85 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.14 -82.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.4 t -164.69 46.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.6 -40.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.53 141.45 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 94.0 p -49.62 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.19 136.66 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -123.32 146.52 49.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.554 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.03 160.49 40.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.627 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 0.96 16.11 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.008 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 79.3 162.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.731 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.02 -3.77 19.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.025 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 72.68 -71.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 112' ' ' ALA . 0.8 OUTLIER -41.82 133.52 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 28.2 p -55.18 -40.31 70.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.343 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -44.32 107.92 0.66 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.5 Cg_endo -74.96 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.8 p 157.48 -24.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 107' ' ' CYS . . . -64.14 122.73 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.5 p -116.07 177.68 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.59 87.38 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 108.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -103.0 137.72 40.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -112.16 143.09 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -94.81 -49.38 5.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.01 163.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.52 34.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.66 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -136.66 -149.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.16 52.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.8 m -94.24 132.9 38.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 108.31 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.0 p90 -145.82 177.73 8.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 96' ' ' THR . 0.9 OUTLIER -70.02 132.03 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.471 ' CG ' ' HG ' ' A' ' 128' ' ' LEU . 0.6 OUTLIER -173.97 136.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.579 ' O ' HD12 ' A' ' 128' ' ' LEU . 1.3 p -113.76 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 127' ' ' VAL . 0.6 OUTLIER 78.49 -76.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG2' ' SG ' ' A' ' 107' ' ' CYS . 17.2 m -92.92 -163.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.61 -70.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 t -171.89 47.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -44.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 160.71 30.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 77.2 p -68.79 162.78 25.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.94 142.47 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -124.33 75.46 61.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.97 167.19 27.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.04 -45.18 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.97 0.05 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.771 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -145.24 163.49 32.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.771 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 143.33 77.48 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.014 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.69 174.2 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 94' ' ' VAL . 15.0 m -58.14 178.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -50.16 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 113.35 12.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.06 8.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 95.6 m -111.02 -0.03 16.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -89.39 130.63 35.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.96 168.81 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 t -84.88 97.03 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 108.34 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -119.16 141.7 48.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -109.86 143.66 39.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -51.59 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -50.96 168.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.45 35.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -70.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.3 t -136.87 -149.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.81 55.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.9 m -94.43 130.51 40.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.343 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.45 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 8.7 p90 -146.06 -178.26 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 131.59 43.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -162.82 134.32 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.2 -34.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 66.45 100.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG11 ' SG ' ' A' ' 125' ' ' CYS . 2.7 t -145.05 149.58 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.34 -100.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 t -164.6 40.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.07 41.64 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.594 1.184 . . . . 0.0 110.25 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -134.85 132.13 38.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 p -78.87 136.86 37.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.607 1.192 . . . . 0.0 110.134 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.7 p -165.39 -177.18 4.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 108.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 6.1 mtpt -143.58 143.17 22.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 167.37 27.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.488 1.783 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.82 -62.82 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.028 -0.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.67 164.27 61.74 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.562 1.164 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.812 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.07 -0.27 17.28 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.025 -0.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 83.28 -161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 84.7 m -141.02 61.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.2 m 67.99 -72.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 108.377 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' CYS . 2.3 m-20 -85.11 147.52 47.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.83 8.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 127' ' ' VAL . 17.6 t -105.61 -8.58 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 108.232 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -95.19 111.0 22.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.62 162.2 18.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.6 95.61 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.264 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.568 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 40.1 t80 -125.49 165.41 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.568 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.13 137.62 45.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 117' ' ' ARG . 0.2 OUTLIER -125.39 1.26 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -114.5 170.9 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.046 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.11 12.67 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.84 9.31 36.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.202 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.62 17.51 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.501 ' O ' ' CE2' ' A' ' 124' ' ' TYR . . . -74.25 94.34 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.215 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.8 m -94.77 120.09 34.43 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.346 1.029 . . . . 0.0 108.35 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 6.0 p90 -145.14 -179.84 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.577 ' SG ' HG11 ' A' ' 94' ' ' VAL . 6.9 m -46.16 131.61 10.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.762 ' CD ' HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -177.14 126.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.056 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.592 HG22 ' OG ' ' A' ' 129' ' ' SER . 3.1 p -98.85 -38.06 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.413 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.762 HD12 ' CD ' ' A' ' 126' ' ' ARG . 0.2 OUTLIER 56.13 57.07 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.592 ' OG ' HG22 ' A' ' 127' ' ' VAL . 93.4 p -179.63 132.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.63 -52.06 6.38 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -79.98 63.83 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.314 1.009 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 108.403 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.78 131.99 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.48 170.33 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.736 ' O ' HG22 ' A' ' 96' ' ' THR . 1.5 m -73.34 57.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.23 -45.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 152.3 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.475 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 89.0 p -81.82 164.46 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.9 p -161.91 173.9 13.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -143.29 131.82 11.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 -62.8 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.03 163.91 20.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.773 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -171.65 9.68 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.978 -0.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.95 -161.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 179.18 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.1 t -55.05 -68.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -72.21 140.7 82.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.35 2.68 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -91.95 126.67 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 t -134.51 176.89 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.7 m -84.77 88.85 7.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.267 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -105.26 145.37 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.01 142.32 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -53.41 175.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.85 32.92 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.67 -69.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.75 -149.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.4 51.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.2 m -94.67 128.9 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.6 p90 -145.94 172.38 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 132.22 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.582 ' HA ' HG23 ' A' ' 96' ' ' THR . 9.0 ttt180 170.38 156.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.453 ' N ' ' CG ' ' A' ' 126' ' ' ARG . 1.7 p -124.0 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' SER . 77.2 mt -154.24 107.89 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER 38.97 90.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.444 ' O ' ' CB ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER 71.47 -159.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 0.5 OUTLIER 77.75 21.99 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.77 159.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.17 167.27 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.5 m -74.34 -2.29 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -137.66 55.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -149.72 144.62 26.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -57.8 129.86 43.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.2 m -65.49 127.82 33.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.83 152.34 58.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.5 Cg_endo -75.0 166.98 28.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 106' ' ' ALA . 18.1 Cg_endo -75.01 131.25 23.59 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.007 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.762 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.23 163.26 69.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.762 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 -33.08 4.27 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.982 0.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 103' ' ' PRO . . . 48.62 93.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 1.4 t 179.78 125.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.68 66.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.81 ' OD1' HG21 ' A' ' 127' ' ' VAL . 0.2 OUTLIER 168.39 112.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.1 Cg_endo -75.05 79.9 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.55 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.07 108.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 m -94.91 -176.75 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.21 89.77 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.427 ' CG ' ' NH1' ' A' ' 126' ' ' ARG . 32.0 t80 -97.46 136.1 38.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.55 141.18 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.86 -43.99 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.1 166.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.55 30.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -155.61 -67.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 7.1 t -136.69 -149.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.44 56.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 m -94.36 138.29 32.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.3 p90 -145.49 173.46 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 140.24 54.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.456 ' HG2' HD23 ' A' ' 128' ' ' LEU . 5.8 tmm_? -153.7 118.73 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.81 HG21 ' OD1' ' A' ' 109' ' ' ASP . 7.2 p -134.89 12.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 128' ' ' LEU . 1.4 pp -69.98 83.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.9 p -163.53 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 74.59 -173.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.0 t30 42.69 46.64 4.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 t -101.59 153.29 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.05 173.2 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.5 m -74.84 57.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -145.36 -45.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.65 163.3 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 69.2 p -68.47 165.31 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.8 p -61.16 144.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.96 79.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -62.1 0.04 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.992 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -164.41 163.44 14.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.756 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 -43.82 0.64 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.973 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -162.35 -60.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.27 177.54 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 p -56.19 -53.74 53.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 4.7 m-20 -52.33 108.01 0.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.04 8.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 -4.38 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 109' ' ' ASP . . . -108.36 139.5 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -173.9 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.62 88.51 7.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.682 ' CE1' HD21 ' A' ' 128' ' ' LEU . 13.6 t80 -100.67 136.83 39.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 10.8 m -90.65 131.16 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -94.89 -39.53 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -65.4 176.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -93.98 32.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.15 -72.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.647 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.1 m -137.92 -146.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 80.52 59.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 115' ' ' TYR . 65.3 m -92.74 130.9 38.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.465 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 23.7 p90 -146.08 172.91 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.61 113.1 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.939 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -152.28 151.58 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.7 p -136.8 68.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.682 HD21 ' CE1' ' A' ' 115' ' ' TYR . 3.0 pp -85.07 -40.97 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.499 ' N ' HD12 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -58.99 -54.71 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER 78.3 158.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 1.5 m-20 160.63 -59.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.82 147.23 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.11 -87.94 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.874 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.8 m -165.58 55.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 -45.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 163.67 27.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 83.2 p -86.65 160.81 18.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 6.0 p -135.1 178.71 6.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -136.93 154.56 76.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.98 167.28 27.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 143.57 78.22 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.997 0.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.757 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -93.72 163.41 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.757 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.03 174.4 52.9 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.54 46.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.08 174.49 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -73.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.08 130.11 5.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 2.79 15.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.78 137.23 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.4 179.55 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 79.6 m -86.93 106.79 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -127.57 144.35 51.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -108.24 143.13 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -94.76 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.84 164.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.02 35.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.7 -71.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 6.1 t -136.94 -148.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.35 60.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 39.8 m -95.16 128.44 41.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.4 p90 -146.11 -177.13 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.94 129.28 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.874 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -157.71 147.57 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 128' ' ' LEU . 2.8 p -126.57 165.06 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 127' ' ' VAL . 2.3 mp -155.35 142.43 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.83 -160.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -161.6 -159.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.4 t30 72.26 -60.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.269 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 95' ' ' ALA . 69.4 t -95.11 160.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.405 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -119.06 177.9 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.722 ' O ' HG22 ' A' ' 96' ' ' THR . 1.7 m -75.14 55.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -145.25 17.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -143.21 145.08 32.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 78.9 p -87.79 169.89 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.1 m -47.02 117.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.09 153.08 52.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.95 167.43 27.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.618 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.0 -37.27 2.29 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.985 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 78.89 163.17 0.13 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.752 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.99 129.67 19.26 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -81.37 -166.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 1.3 m 67.06 140.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -74.11 -65.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -40.21 127.37 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 0.68 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.242 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -76.1 130.1 37.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.43 -173.05 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.6 114.74 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 37.2 t80 -118.82 135.88 54.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -112.95 132.56 55.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -94.81 -43.61 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.85 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.71 28.71 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.74 -67.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.9 m -136.88 -145.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.15 53.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.6 129.46 41.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.355 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.3 p90 -145.85 174.26 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.77 138.09 30.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -177.07 137.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.603 HG22 ' H ' ' A' ' 130' ' ' LEU . 14.6 p -120.38 106.05 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.8 mt -70.34 -63.37 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.1 m -39.78 -47.5 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.603 ' H ' HG22 ' A' ' 127' ' ' VAL . 0.2 OUTLIER 76.54 -70.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -73.76 63.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.8 t -86.7 141.24 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 96' ' ' THR . . . -90.07 -94.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.729 ' O ' HG22 ' A' ' 96' ' ' THR . 2.6 m -164.57 43.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.14 28.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -135.39 143.46 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 76.2 p -55.04 160.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 123' ' ' CYS . 5.2 m -54.1 154.26 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -144.5 89.01 6.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.02 167.31 27.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 128.06 15.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.08 163.42 68.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.759 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 150.9 96.19 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.032 -2.486 . . . . 0.0 110.972 0.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 101' ' ' LYS . . . -145.33 66.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -142.27 157.14 45.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.337 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -63.58 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.42 133.81 95.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.92 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.46 1.54 15.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 107' ' ' CYS . . . -85.38 132.36 34.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.85 159.76 39.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 112.7 20.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.522 ' CZ ' ' O ' ' A' ' 116' ' ' CYS . 41.7 t80 -144.65 162.23 37.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.522 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.17 139.88 42.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -16.78 12.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 119' ' ' PHE . 23.9 t80 -50.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 159.03 -23.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.56 -45.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -133.45 -154.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 69.21 59.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 100' ' ' CYS . 5.4 m -95.45 124.16 39.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 126' ' ' ARG . 11.3 p90 -146.26 -176.18 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 125.04 24.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.657 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -156.61 131.81 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.03 -32.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' A' ' 126' ' ' ARG . 1.5 tp 45.74 91.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.88 132.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 132' ' ' CYS . 0.6 OUTLIER -77.87 -74.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.2 t30 70.2 -61.35 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 130' ' ' LEU . 32.1 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 108.303 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.1 t -145.12 158.36 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.78 -78.76 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 t -170.15 32.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.459 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -125.88 -42.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.89 152.71 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 60.1 p -97.94 168.63 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.85 156.35 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.281 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 94.42 32.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.17 27.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 125.33 11.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.034 -0.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.748 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 57.69 163.19 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.748 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.97 -171.43 9.37 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.963 0.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.14 -78.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.93 179.76 1.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.1 137.64 84.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.67 8.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.08 0.17 18.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.545 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -105.79 119.71 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.37 171.4 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.2 m -84.78 93.22 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.312 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -110.0 147.94 32.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 128.46 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 8.19 19.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.662 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 29.2 t80 -71.94 -67.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER 159.28 -24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -138.77 -45.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -135.3 -149.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 66.82 61.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 33.9 m -94.62 126.46 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.456 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 22.5 p90 -145.73 178.87 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.66 137.99 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.464 ' CG ' HD23 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -155.73 123.38 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 127' ' ' VAL . 2.5 p -141.06 48.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.464 HD23 ' CG ' ' A' ' 126' ' ' ARG . 2.5 pp -70.91 121.23 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.2 t 71.41 133.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.99 -160.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 44.95 60.19 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 108.288 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 98' ' ' ASN . 3.2 t -118.55 143.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.82 -172.93 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 96' ' ' THR . 8.1 t -75.31 56.27 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 ttt-85 -145.2 -47.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.598 ' HB3' HG13 ' A' ' 94' ' ' VAL . 18.4 t-20 -80.0 153.11 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.464 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 27.7 p -91.2 157.13 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -131.52 160.38 35.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.436 ' N ' ' SG ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER -131.87 99.52 16.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 167.33 27.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.773 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.98 128.13 15.78 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.988 -0.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 63.89 162.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.745 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 165.87 84.79 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.963 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.6 -173.52 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -100.83 166.65 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -59.59 138.33 89.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.81 8.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.547 ' O ' HG23 ' A' ' 127' ' ' VAL . 42.2 m -107.64 -1.9 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.333 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 107' ' ' CYS . . . -102.64 129.53 49.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.74 168.94 18.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 99.52 12.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.768 ' CD2' HD21 ' A' ' 128' ' ' LEU . 34.7 t80 -128.49 156.81 42.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.523 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.89 135.86 49.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.363 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -94.9 -35.95 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.422 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 2.3 t80 -55.93 175.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -101.85 27.73 6.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -66.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 8.5 t -136.76 -147.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 75.81 56.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.3 m -95.14 119.41 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 108.298 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.464 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 4.1 p90 -146.12 -179.55 6.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 146.09 53.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -179.68 150.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 111' ' ' CYS . 3.1 p -123.12 65.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 115' ' ' TYR . 1.8 pp -84.57 80.82 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -149.82 -49.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 76.87 -79.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 36.4 p30 -73.02 61.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 108.317 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 75.1 t -115.46 134.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.56 -174.13 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 96' ' ' THR . 6.8 t -75.54 55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.51 19.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 28.9 t-20 -149.46 136.54 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 91.7 p -65.41 155.88 34.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.0 p -64.23 115.71 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 150.0 43.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.53 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.93 164.34 33.63 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 106' ' ' ALA . 18.2 Cg_endo -75.03 133.05 29.69 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.981 0.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -74.7 163.2 69.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.752 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.94 -15.52 22.06 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.012 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 103' ' ' PRO . . . 50.73 57.74 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -164.3 129.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.95 121.61 15.68 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.73 8.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -112.96 3.05 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.352 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.12 140.39 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 65.3 m -144.95 -174.94 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -85.37 116.33 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -138.93 142.63 38.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -106.81 138.41 43.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -117.65 -8.76 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 23.6 t80 -56.7 -68.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 160.61 -24.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 -45.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 25.3 p -135.24 -151.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 69.28 57.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.46 129.61 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.441 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 7.3 p90 -145.33 -178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 136.43 57.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.443 HH11 HG21 ' A' ' 96' ' ' THR . 17.0 tpt180 -170.97 148.35 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 13.9 p -128.49 137.57 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.18 63.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.6 p -167.68 171.88 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 130' ' ' LEU . 14.1 mt -154.05 117.73 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.7 t30 177.84 -44.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.305 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 95' ' ' ALA . 94.5 t -109.32 -107.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.648 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -155.3 -94.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.0 t -164.86 29.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -145.19 45.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.557 ' HB3' HG11 ' A' ' 94' ' ' VAL . 12.2 p-10 -135.61 132.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.5 p -46.5 158.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 123' ' ' CYS . 4.4 m -58.49 117.87 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.69 86.52 29.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 167.17 27.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 136.74 46.63 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.998 0.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -74.84 163.46 68.02 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.04 -173.39 12.26 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.953 0.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.95 -73.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -43.82 146.17 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.423 ' N ' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.14 -43.04 79.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.79 113.04 1.24 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.2 Cg_endo -75.03 78.73 2.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.31 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.31 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.533 ' HB3' ' SG ' ' A' ' 107' ' ' CYS . . . -67.64 115.33 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.64 99.07 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CE1' ' O ' ' A' ' 116' ' ' CYS . 16.4 t80 -125.23 146.45 49.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.448 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -111.81 145.48 39.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -48.33 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 7.7 t80 -57.12 168.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.41 ' N ' ' CD1' ' A' ' 118' ' ' PHE . 9.7 m-85 -94.92 37.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.75 -71.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.87 -149.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.49 51.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 m -94.72 129.46 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.4 p90 -146.38 -179.26 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.82 124.95 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.345 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -158.74 140.55 13.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 111' ' ' CYS . 1.9 p -99.91 -31.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.448 HD22 ' HD2' ' A' ' 126' ' ' ARG . 0.2 OUTLIER 59.8 101.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.1 137.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -77.6 173.41 12.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.488 ' H ' HD23 ' A' ' 130' ' ' LEU . 5.2 t-20 81.53 -58.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.42 134.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.57 168.77 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.738 ' O ' HG22 ' A' ' 96' ' ' THR . 1.4 m -74.43 59.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -145.48 -44.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.11 152.3 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 41.1 p -61.09 163.27 6.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.43 137.5 33.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.13 152.58 47.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.97 166.83 28.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.593 1.839 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 0.4 16.58 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.006 -0.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 62.56 162.94 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.95 -34.95 3.1 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.017 -0.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' PRO . . . 40.4 38.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.88 166.37 11.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.274 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.89 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.95 137.58 57.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 1.07 8.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.456 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -117.87 6.23 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.66 33.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.03 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.3 t -88.05 110.62 20.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 126' ' ' ARG . 45.7 t80 -112.48 136.0 52.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -114.88 135.28 54.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -94.7 -45.24 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.48 ' CD2' ' N ' ' A' ' 119' ' ' PHE . 39.9 t80 -49.0 172.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.48 ' N ' ' CD2' ' A' ' 118' ' ' PHE . 0.4 OUTLIER -34.07 -59.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.446 ' O ' ' NE ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -156.68 22.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.15 -170.12 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . 62.58 58.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.8 m -93.68 134.87 35.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 108.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 6.2 p90 -145.87 178.0 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.8 t -60.87 136.18 58.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.625 ' HA ' HG23 ' A' ' 96' ' ' THR . 2.9 tpt180 -175.39 136.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 111' ' ' CYS . 8.3 p -111.2 -39.97 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 129' ' ' SER . 5.1 mt 65.66 133.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 0.1 OUTLIER 79.27 -54.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 77.35 -173.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.9 m120 48.47 58.05 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 108.256 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.634 HG23 ' HB2' ' A' ' 98' ' ' ASN . 1.7 p -105.28 153.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 96' ' ' THR . . . -118.21 67.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 96' ' ' THR . 2.7 m 36.17 38.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.14 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.634 ' HB2' HG23 ' A' ' 94' ' ' VAL . 1.8 t-20 -140.9 151.16 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 p -57.44 158.7 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 150.53 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.24 80.22 13.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.99 167.2 27.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 -41.3 1.02 Allowed 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.016 -0.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.751 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -147.28 163.27 29.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.751 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 130.43 21.26 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.988 0.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.413 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -84.34 86.28 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.691 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . 34.5 m 72.45 140.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.261 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -44.97 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -81.52 135.8 49.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.1 8.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.43 1.753 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.759 ' O ' HD13 ' A' ' 130' ' ' LEU . 4.0 m -114.25 3.77 15.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.691 ' HB3' ' CB ' ' A' ' 107' ' ' CYS . . . -90.51 151.9 21.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -142.33 177.9 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.98 119.33 27.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -131.05 135.3 47.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -110.68 141.6 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -47.54 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -51.75 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.07 32.53 2.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.51 -68.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.72 -149.22 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.04 52.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -94.63 133.47 38.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 3.0 p90 -145.22 176.25 9.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.6 140.04 58.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 108.283 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.609 ' HA ' HG23 ' A' ' 96' ' ' THR . 2.0 ttt180 -168.16 144.41 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 p -136.96 93.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.1 -75.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.88 -56.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.759 HD13 ' O ' ' A' ' 111' ' ' CYS . 0.0 OUTLIER 73.7 175.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -121.3 7.98 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.28 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.432 HG11 ' SG ' ' A' ' 125' ' ' CYS . 63.7 t -100.53 156.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.74 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 t -173.12 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -107.22 78.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -149.7 126.11 10.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -53.45 154.28 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.1 154.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 72.18 14.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.98 167.42 27.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.97 -28.25 7.67 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.024 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -144.88 163.08 35.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 -170.65 8.45 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.961 -0.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.65 -57.49 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 0.1 OUTLIER 174.48 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 4.7 t 84.72 -67.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.93 153.4 43.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.28 7.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.87 -0.42 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 107' ' ' CYS . . . -106.39 100.65 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 160.52 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 m -84.56 108.95 17.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -128.45 156.06 43.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 140.27 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.51 -22.85 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.544 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 30.8 t80 -44.11 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 157.97 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -134.82 -46.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.546 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 44.4 p -135.19 -156.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.979 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 73.97 56.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.3 m -94.2 126.2 39.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.09 -179.18 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.432 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -48.2 133.66 15.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 108.338 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 114.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 129' ' ' SER . 1.5 p -111.48 -35.7 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 64.4 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 127' ' ' VAL . 49.6 m -60.83 174.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.0 mt -154.1 127.0 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 167.96 -52.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.331 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.635 HG11 ' SG ' ' A' ' 125' ' ' CYS . 4.9 t -84.98 154.0 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.67 -90.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -176.51 37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -145.12 42.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -159.57 135.03 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 p -39.22 121.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 148.78 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -141.81 82.56 13.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.06 167.31 27.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -63.15 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.971 0.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -86.39 163.52 41.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.02 -1.86 18.27 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.98 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 81.51 169.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 4.8 m -93.34 47.3 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 0.1 OUTLIER 84.61 -52.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.95 138.69 19.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.02 8.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 127' ' ' VAL . 95.1 m -102.46 -4.65 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 108.262 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -79.52 144.12 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.8 m -144.1 -174.55 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.92 118.58 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.249 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.491 ' CE1' HD13 ' A' ' 128' ' ' LEU . 15.7 t80 -120.75 125.93 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 127.55 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.85 -27.72 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.562 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 31.3 t80 -43.64 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 0.9 OUTLIER 158.19 -23.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.67 -45.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -132.9 -158.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 73.47 54.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.2 m -94.71 136.91 34.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.19 177.76 8.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.635 ' SG ' HG11 ' A' ' 94' ' ' VAL . 13.3 m -50.48 129.51 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.84 123.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 111' ' ' CYS . 7.2 p -93.57 139.94 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.491 HD13 ' CE1' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -155.17 62.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.79 -166.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 131' ' ' ASN . 0.8 OUTLIER -158.36 -165.8 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.42 ' N ' HD12 ' A' ' 130' ' ' LEU . 1.0 OUTLIER 73.69 -62.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 108.259 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.87 160.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 96' ' ' THR . . . -91.54 -2.79 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.894 HG22 ' HA ' ' A' ' 126' ' ' ARG . 3.9 m 84.39 55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 98' ' ' ASN . 1.1 ptm180 -145.71 -40.48 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 0.8 OUTLIER -74.42 167.29 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 p -55.32 160.46 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.1 122.77 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -93.08 152.93 41.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.516 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -75.07 -2.56 19.07 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.991 0.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 57.97 163.16 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.01 -39.14 1.52 Allowed 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.006 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.59 38.37 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.01 160.74 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.367 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.67 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 32.5 m-20 -86.75 124.6 68.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.88 8.38 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -110.12 -0.07 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 108.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -90.2 132.68 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.85 -179.03 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 91.2 m -85.7 101.31 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.579 ' CD2' HD23 ' A' ' 128' ' ' LEU . 6.4 t80 -115.23 133.91 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.05 144.0 40.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 108.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -61.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.87 164.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.76 36.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -155.64 -70.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.9 t -136.77 -149.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.4 57.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 28.0 m -94.79 135.9 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 108.265 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -145.53 179.04 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 131.08 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.894 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.7 OUTLIER -175.66 151.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.0 p -125.03 83.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 115' ' ' TYR . 4.1 mm? -84.92 54.34 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.03 123.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.97 131.83 34.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -170.45 41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.52 HG11 ' SG ' ' A' ' 125' ' ' CYS . 11.9 t -101.18 145.82 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.72 -92.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.4 t -174.78 56.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -145.38 -44.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -74.24 146.82 42.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -58.35 165.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 t -44.83 143.27 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 108.239 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.05 147.93 36.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.65 26.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.618 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.04 -61.16 0.05 OUTLIER 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.984 0.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 78.91 163.16 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.736 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.96 129.6 19.05 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.068 -2.472 . . . . 0.0 111.013 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.447 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -157.19 -61.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 36.8 t 44.37 30.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 2.7 t 85.02 -70.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.339 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.87 145.56 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.609 ' SG ' HD13 ' A' ' 130' ' ' LEU . 0.5 OUTLIER -107.57 1.49 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.544 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -116.16 132.91 56.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 m -144.26 170.95 15.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 4.2 p -84.61 108.66 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 73.0 t80 -130.73 158.45 40.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.43 137.41 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.425 ' NE ' ' OH ' ' A' ' 124' ' ' TYR . 15.7 ptt180 -94.73 -33.16 13.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.72 176.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -102.53 29.79 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 -68.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.697 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.1 OUTLIER -137.09 -155.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 84.63 44.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.41 119.08 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 7.3 p90 -146.02 168.32 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.52 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -55.5 142.41 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 178.68 156.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.608 HG23 HD12 ' A' ' 130' ' ' LEU . 1.3 p -131.67 7.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' VAL . 0.7 OUTLIER 39.11 40.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.88 -72.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.807 HD13 ' SG ' ' A' ' 132' ' ' CYS . 2.3 mt 73.86 177.8 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.83 12.0 18.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.807 ' SG ' HD13 ' A' ' 130' ' ' LEU . 3.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 108.28 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.638 HG22 ' H ' ' A' ' 95' ' ' ALA . 1.9 p -85.86 -178.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.638 ' H ' HG22 ' A' ' 94' ' ' VAL . . . -84.95 -100.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -170.21 31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -115.58 -27.05 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -74.82 152.93 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 52.2 p -51.46 168.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.401 ' N ' ' HA ' ' A' ' 124' ' ' TYR . 29.1 t -119.0 131.78 56.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.236 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 92.8 5.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.96 166.84 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.05 -60.06 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.998 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.15 163.13 22.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.99 166.32 83.59 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.24 28.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.54 164.97 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.9 m -54.93 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.709 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 9.8 m-20 -66.61 123.78 86.67 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.81 8.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.786 ' O ' HD12 ' A' ' 130' ' ' LEU . 1.3 m -114.31 2.49 14.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.709 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -84.28 125.08 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.14 -174.82 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.76 84.65 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.339 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -104.11 138.73 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.5 144.28 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 -48.86 5.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -55.99 164.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.89 36.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -155.72 -71.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.6 m -136.94 -149.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.93 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.92 51.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.42 130.08 40.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.36 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.5 p90 -146.22 -174.89 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 121.9 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.32 128.16 5.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 111' ' ' CYS . 2.8 p -87.12 -38.02 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.4 OUTLIER 39.85 31.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 127' ' ' VAL . 0.3 OUTLIER 74.59 -57.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 111' ' ' CYS . 3.3 mt 71.98 -165.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -89.51 11.75 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.279 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 98' ' ' ASN . 94.1 t -100.74 162.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -124.17 67.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.814 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.7 m 35.72 53.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -145.56 -44.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.46 ' HB2' HG13 ' A' ' 94' ' ' VAL . 14.6 t30 -74.68 149.53 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.459 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 3.9 m -75.89 159.66 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.58 125.2 26.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.15 84.24 8.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 166.79 28.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.07 -64.42 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.98 0.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.72 162.19 25.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.733 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.94 157.76 99.4 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.001 -0.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.88 119.6 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.17 134.41 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -73.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.691 ' OD2' HG11 ' A' ' 127' ' ' VAL . 73.9 m-20 -40.26 108.8 0.55 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.4 Cg_endo -74.99 82.92 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.64 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -49.78 113.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 173.67 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 59.6 m -85.47 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.426 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 15.9 t80 -100.91 134.88 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -110.72 141.29 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -94.9 -43.86 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.05 170.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.93 32.06 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -155.67 -68.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.68 -149.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.32 53.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.31 134.7 36.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 11.3 p90 -145.7 178.77 7.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -61.76 134.04 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.814 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.29 122.74 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.691 HG11 ' OD2' ' A' ' 109' ' ' ASP . 10.3 p -134.29 38.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 128' ' ' LEU . 3.3 pp -74.42 58.86 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.37 129.68 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.939 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 130' ' ' LEU . 1.0 OUTLIER -81.5 -159.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 40.88 62.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.0 t -93.94 154.85 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.14 -82.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.4 t -164.69 46.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.6 -40.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.53 141.45 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 94.0 p -49.62 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.19 136.66 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -123.32 146.52 49.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.554 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.03 160.49 40.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.627 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 0.96 16.11 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.008 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 79.3 162.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.731 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.02 -3.77 19.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.025 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 72.68 -71.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 112' ' ' ALA . 0.8 OUTLIER -41.82 133.52 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 28.2 p -55.18 -40.31 70.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.343 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -44.32 107.92 0.66 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.5 Cg_endo -74.96 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.8 p 157.48 -24.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 107' ' ' CYS . . . -64.14 122.73 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.5 p -116.07 177.68 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.59 87.38 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 108.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -103.0 137.72 40.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -112.16 143.09 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -94.81 -49.38 5.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.01 163.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.52 34.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.66 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -136.66 -149.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.16 52.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.8 m -94.24 132.9 38.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 108.31 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.0 p90 -145.82 177.73 8.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 96' ' ' THR . 0.9 OUTLIER -70.02 132.03 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.471 ' CG ' ' HG ' ' A' ' 128' ' ' LEU . 0.6 OUTLIER -173.97 136.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.579 ' O ' HD12 ' A' ' 128' ' ' LEU . 1.3 p -113.76 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 127' ' ' VAL . 0.6 OUTLIER 78.49 -76.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.49 124.14 14.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.23 135.55 33.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 170.88 -41.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 110' ' ' PRO . 86.9 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 108.3 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG2' ' SG ' ' A' ' 107' ' ' CYS . 17.2 m -92.92 -163.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.61 -70.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 t -171.89 47.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -44.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 160.71 30.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 77.2 p -68.79 162.78 25.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.94 142.47 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -124.33 75.46 61.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.97 167.19 27.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.04 -45.18 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.97 0.05 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.771 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -145.24 163.49 32.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.771 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 143.33 77.48 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.014 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.69 174.2 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 94' ' ' VAL . 15.0 m -58.14 178.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -50.16 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 113.35 12.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.06 8.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 95.6 m -111.02 -0.03 16.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -89.39 130.63 35.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.96 168.81 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 t -84.88 97.03 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 108.34 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -119.16 141.7 48.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -109.86 143.66 39.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -51.59 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -50.96 168.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.45 35.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -70.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.3 t -136.87 -149.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.81 55.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.9 m -94.43 130.51 40.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.343 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.45 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 8.7 p90 -146.06 -178.26 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 131.59 43.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -162.82 134.32 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.2 -34.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 66.45 100.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.35 132.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.98 167.89 15.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 177.85 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.577 HG11 ' SG ' ' A' ' 125' ' ' CYS . 2.7 t -145.05 149.58 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.34 -100.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 t -164.6 40.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.07 41.64 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.594 1.184 . . . . 0.0 110.25 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -134.85 132.13 38.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 p -78.87 136.86 37.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.607 1.192 . . . . 0.0 110.134 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.7 p -165.39 -177.18 4.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 108.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 6.1 mtpt -143.58 143.17 22.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 167.37 27.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.488 1.783 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.82 -62.82 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.028 -0.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.67 164.27 61.74 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.562 1.164 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.812 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.07 -0.27 17.28 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.025 -0.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 83.28 -161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 84.7 m -141.02 61.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.2 m 67.99 -72.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 108.377 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' CYS . 2.3 m-20 -85.11 147.52 47.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.83 8.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 127' ' ' VAL . 17.6 t -105.61 -8.58 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 108.232 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -95.19 111.0 22.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.62 162.2 18.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.6 95.61 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.264 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.568 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 40.1 t80 -125.49 165.41 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.568 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.13 137.62 45.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 117' ' ' ARG . 0.2 OUTLIER -125.39 1.26 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -114.5 170.9 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.046 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.11 12.67 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.84 9.31 36.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.202 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.62 17.51 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.501 ' O ' ' CE2' ' A' ' 124' ' ' TYR . . . -74.25 94.34 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.215 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.8 m -94.77 120.09 34.43 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.346 1.029 . . . . 0.0 108.35 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 6.0 p90 -145.14 -179.84 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.577 ' SG ' HG11 ' A' ' 94' ' ' VAL . 6.9 m -46.16 131.61 10.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.762 ' CD ' HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -177.14 126.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.056 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.592 HG22 ' OG ' ' A' ' 129' ' ' SER . 3.1 p -98.85 -38.06 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.413 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.762 HD12 ' CD ' ' A' ' 126' ' ' ARG . 0.2 OUTLIER 56.13 57.07 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.592 ' OG ' HG22 ' A' ' 127' ' ' VAL . 93.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.78 131.99 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.48 170.33 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.736 ' O ' HG22 ' A' ' 96' ' ' THR . 1.5 m -73.34 57.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.23 -45.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 152.3 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.475 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 89.0 p -81.82 164.46 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.9 p -161.91 173.9 13.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -143.29 131.82 11.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 -62.8 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.03 163.91 20.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.773 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -171.65 9.68 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.978 -0.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.95 -161.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 179.18 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.1 t -55.05 -68.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -72.21 140.7 82.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.35 2.68 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -91.95 126.67 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 t -134.51 176.89 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.7 m -84.77 88.85 7.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.267 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -105.26 145.37 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.01 142.32 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -53.41 175.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.85 32.92 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.67 -69.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.75 -149.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.4 51.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.2 m -94.67 128.9 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.6 p90 -145.94 172.38 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 132.22 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.582 ' HA ' HG23 ' A' ' 96' ' ' THR . 9.0 ttt180 170.38 156.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.453 ' N ' ' CG ' ' A' ' 126' ' ' ARG . 1.7 p -124.0 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' SER . 77.2 mt -154.24 107.89 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.77 159.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.17 167.27 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.5 m -74.34 -2.29 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -137.66 55.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -149.72 144.62 26.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -57.8 129.86 43.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.2 m -65.49 127.82 33.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.83 152.34 58.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.5 Cg_endo -75.0 166.98 28.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 106' ' ' ALA . 18.1 Cg_endo -75.01 131.25 23.59 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.007 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.762 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.23 163.26 69.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.762 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 -33.08 4.27 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.982 0.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 103' ' ' PRO . . . 48.62 93.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 1.4 t 179.78 125.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.68 66.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.81 ' OD1' HG21 ' A' ' 127' ' ' VAL . 0.2 OUTLIER 168.39 112.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.1 Cg_endo -75.05 79.9 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.55 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.07 108.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 m -94.91 -176.75 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.21 89.77 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.427 ' CG ' ' NH1' ' A' ' 126' ' ' ARG . 32.0 t80 -97.46 136.1 38.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.55 141.18 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.86 -43.99 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.1 166.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.55 30.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -155.61 -67.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 7.1 t -136.69 -149.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.44 56.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 m -94.36 138.29 32.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.3 p90 -145.49 173.46 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 140.24 54.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.456 ' HG2' HD23 ' A' ' 128' ' ' LEU . 5.8 tmm_? -153.7 118.73 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.81 HG21 ' OD1' ' A' ' 109' ' ' ASP . 7.2 p -134.89 12.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 128' ' ' LEU . 1.4 pp -69.98 83.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.9 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 t -101.59 153.29 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.05 173.2 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.5 m -74.84 57.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -145.36 -45.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.65 163.3 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 69.2 p -68.47 165.31 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.8 p -61.16 144.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.96 79.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -62.1 0.04 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.992 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -164.41 163.44 14.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.756 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 -43.82 0.64 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.973 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -162.35 -60.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.27 177.54 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 p -56.19 -53.74 53.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 4.7 m-20 -52.33 108.01 0.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.04 8.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 -4.38 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 109' ' ' ASP . . . -108.36 139.5 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -173.9 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.62 88.51 7.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.682 ' CE1' HD21 ' A' ' 128' ' ' LEU . 13.6 t80 -100.67 136.83 39.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 10.8 m -90.65 131.16 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -94.89 -39.53 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -65.4 176.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -93.98 32.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.15 -72.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.647 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.1 m -137.92 -146.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 80.52 59.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 115' ' ' TYR . 65.3 m -92.74 130.9 38.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.465 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 23.7 p90 -146.08 172.91 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.61 113.1 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.939 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -152.28 151.58 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.7 p -136.8 68.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.682 HD21 ' CE1' ' A' ' 115' ' ' TYR . 3.0 pp -85.07 -40.97 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.499 ' N ' HD12 ' A' ' 128' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.82 147.23 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.11 -87.94 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.874 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.8 m -165.58 55.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 -45.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 163.67 27.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 83.2 p -86.65 160.81 18.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 6.0 p -135.1 178.71 6.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -136.93 154.56 76.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.98 167.28 27.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 143.57 78.22 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.997 0.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.757 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -93.72 163.41 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.757 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.03 174.4 52.9 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.54 46.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.08 174.49 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -73.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.08 130.11 5.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 2.79 15.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.78 137.23 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.4 179.55 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 79.6 m -86.93 106.79 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -127.57 144.35 51.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -108.24 143.13 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -94.76 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.84 164.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.02 35.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.7 -71.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 6.1 t -136.94 -148.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.35 60.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 39.8 m -95.16 128.44 41.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.4 p90 -146.11 -177.13 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.94 129.28 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.874 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -157.71 147.57 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 128' ' ' LEU . 2.8 p -126.57 165.06 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 127' ' ' VAL . 2.3 mp -155.35 142.43 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 95' ' ' ALA . 69.4 t -95.11 160.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.405 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -119.06 177.9 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.722 ' O ' HG22 ' A' ' 96' ' ' THR . 1.7 m -75.14 55.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -145.25 17.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -143.21 145.08 32.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 78.9 p -87.79 169.89 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.1 m -47.02 117.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.09 153.08 52.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.95 167.43 27.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.618 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.0 -37.27 2.29 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.985 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 78.89 163.17 0.13 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.752 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.99 129.67 19.26 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.436 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -81.37 -166.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 1.3 m 67.06 140.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -74.11 -65.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -40.21 127.37 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 0.68 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.242 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -76.1 130.1 37.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.43 -173.05 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.6 114.74 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 37.2 t80 -118.82 135.88 54.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -112.95 132.56 55.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -94.81 -43.61 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.85 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.71 28.71 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.74 -67.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.9 m -136.88 -145.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.15 53.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.6 129.46 41.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.355 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.3 p90 -145.85 174.26 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.77 138.09 30.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -177.07 137.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 127' ' ' VAL . 14.6 p -120.38 106.05 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.8 mt -70.34 -63.37 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.1 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.014 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.8 t -86.7 141.24 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 96' ' ' THR . . . -90.07 -94.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.729 ' O ' HG22 ' A' ' 96' ' ' THR . 2.6 m -164.57 43.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.14 28.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -135.39 143.46 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 76.2 p -55.04 160.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 123' ' ' CYS . 5.2 m -54.1 154.26 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -144.5 89.01 6.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.02 167.31 27.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 128.06 15.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.08 163.42 68.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.759 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 150.9 96.19 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.032 -2.486 . . . . 0.0 110.972 0.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 101' ' ' LYS . . . -145.33 66.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -142.27 157.14 45.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.337 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -63.58 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.42 133.81 95.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.92 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.46 1.54 15.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 107' ' ' CYS . . . -85.38 132.36 34.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.85 159.76 39.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 112.7 20.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.522 ' CZ ' ' O ' ' A' ' 116' ' ' CYS . 41.7 t80 -144.65 162.23 37.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.522 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.17 139.88 42.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -16.78 12.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 119' ' ' PHE . 23.9 t80 -50.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 159.03 -23.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.56 -45.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -133.45 -154.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 69.21 59.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 100' ' ' CYS . 5.4 m -95.45 124.16 39.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 126' ' ' ARG . 11.3 p90 -146.26 -176.18 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 125.04 24.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.657 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -156.61 131.81 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.03 -32.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' A' ' 126' ' ' ARG . 1.5 tp 45.74 91.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.1 t -145.12 158.36 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.78 -78.76 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 t -170.15 32.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.459 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -125.88 -42.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.89 152.71 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 60.1 p -97.94 168.63 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.85 156.35 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.281 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 94.42 32.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.17 27.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 125.33 11.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.034 -0.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.748 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 57.69 163.19 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.748 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.97 -171.43 9.37 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.963 0.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.14 -78.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.93 179.76 1.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.1 137.64 84.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.67 8.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.08 0.17 18.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.545 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -105.79 119.71 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.37 171.4 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.2 m -84.78 93.22 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.312 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -110.0 147.94 32.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 128.46 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 8.19 19.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.662 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 29.2 t80 -71.94 -67.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER 159.28 -24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -138.77 -45.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -135.3 -149.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 66.82 61.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 33.9 m -94.62 126.46 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.456 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 22.5 p90 -145.73 178.87 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.66 137.99 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.464 ' CG ' HD23 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -155.73 123.38 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 127' ' ' VAL . 2.5 p -141.06 48.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.464 HD23 ' CG ' ' A' ' 126' ' ' ARG . 2.5 pp -70.91 121.23 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 98' ' ' ASN . 3.2 t -118.55 143.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.82 -172.93 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 96' ' ' THR . 8.1 t -75.31 56.27 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 ttt-85 -145.2 -47.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.598 ' HB3' HG13 ' A' ' 94' ' ' VAL . 18.4 t-20 -80.0 153.11 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.464 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 27.7 p -91.2 157.13 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -131.52 160.38 35.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.436 ' N ' ' SG ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER -131.87 99.52 16.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 167.33 27.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.773 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.98 128.13 15.78 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.988 -0.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 63.89 162.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.745 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 165.87 84.79 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.963 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.6 -173.52 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -100.83 166.65 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -59.59 138.33 89.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.81 8.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.547 ' O ' HG23 ' A' ' 127' ' ' VAL . 42.2 m -107.64 -1.9 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.333 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 107' ' ' CYS . . . -102.64 129.53 49.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.74 168.94 18.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 99.52 12.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.768 ' CD2' HD21 ' A' ' 128' ' ' LEU . 34.7 t80 -128.49 156.81 42.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.523 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.89 135.86 49.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.363 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -94.9 -35.95 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.422 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 2.3 t80 -55.93 175.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -101.85 27.73 6.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -66.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 8.5 t -136.76 -147.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 75.81 56.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.3 m -95.14 119.41 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 108.298 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.464 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 4.1 p90 -146.12 -179.55 6.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 146.09 53.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -179.68 150.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 111' ' ' CYS . 3.1 p -123.12 65.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 115' ' ' TYR . 1.8 pp -84.57 80.82 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 75.1 t -115.46 134.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.56 -174.13 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 96' ' ' THR . 6.8 t -75.54 55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.51 19.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.427 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 28.9 t-20 -149.46 136.54 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 91.7 p -65.41 155.88 34.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.0 p -64.23 115.71 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 150.0 43.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.53 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.93 164.34 33.63 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 106' ' ' ALA . 18.2 Cg_endo -75.03 133.05 29.69 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.981 0.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -74.7 163.2 69.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.752 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.94 -15.52 22.06 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.012 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 103' ' ' PRO . . . 50.73 57.74 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -164.3 129.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.95 121.61 15.68 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.73 8.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -112.96 3.05 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.352 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.12 140.39 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 65.3 m -144.95 -174.94 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -85.37 116.33 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -138.93 142.63 38.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -106.81 138.41 43.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -117.65 -8.76 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 23.6 t80 -56.7 -68.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 160.61 -24.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 -45.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 25.3 p -135.24 -151.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 69.28 57.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.46 129.61 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.441 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 7.3 p90 -145.33 -178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 136.43 57.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.443 HH11 HG21 ' A' ' 96' ' ' THR . 17.0 tpt180 -170.97 148.35 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 13.9 p -128.49 137.57 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.18 63.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 95' ' ' ALA . 94.5 t -109.32 -107.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.648 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -155.3 -94.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.0 t -164.86 29.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -145.19 45.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.557 ' HB3' HG11 ' A' ' 94' ' ' VAL . 1.1 p30 -135.61 132.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.5 p -46.5 158.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 123' ' ' CYS . 4.4 m -58.49 117.87 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.69 86.52 29.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 167.17 27.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 136.74 46.63 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.998 0.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -74.84 163.46 68.02 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.04 -173.39 12.26 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.953 0.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.95 -73.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -43.82 146.17 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.423 ' N ' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.14 -43.04 79.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.79 113.04 1.24 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.2 Cg_endo -75.03 78.73 2.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.31 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.31 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.533 ' HB3' ' SG ' ' A' ' 107' ' ' CYS . . . -67.64 115.33 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.64 99.07 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CE1' ' O ' ' A' ' 116' ' ' CYS . 16.4 t80 -125.23 146.45 49.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.448 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -111.81 145.48 39.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -48.33 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 7.7 t80 -57.12 168.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.41 ' N ' ' CD1' ' A' ' 118' ' ' PHE . 9.7 m-85 -94.92 37.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.75 -71.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.87 -149.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.49 51.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 m -94.72 129.46 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.4 p90 -146.38 -179.26 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.82 124.95 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.345 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -158.74 140.55 13.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 111' ' ' CYS . 1.9 p -99.91 -31.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.448 HD22 ' HD2' ' A' ' 126' ' ' ARG . 0.2 OUTLIER 59.8 101.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.42 134.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.57 168.77 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.738 ' O ' HG22 ' A' ' 96' ' ' THR . 1.4 m -74.43 59.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -145.48 -44.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.11 152.3 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 41.1 p -61.09 163.27 6.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.43 137.5 33.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.13 152.58 47.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.97 166.83 28.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.593 1.839 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 0.4 16.58 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.006 -0.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 62.56 162.94 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.95 -34.95 3.1 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.017 -0.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' PRO . . . 40.4 38.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.88 166.37 11.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.274 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.89 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.95 137.58 57.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 1.07 8.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.456 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -117.87 6.23 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.66 33.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.03 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.3 t -88.05 110.62 20.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 126' ' ' ARG . 45.7 t80 -112.48 136.0 52.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -114.88 135.28 54.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -94.7 -45.24 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.48 ' CD2' ' N ' ' A' ' 119' ' ' PHE . 39.9 t80 -49.0 172.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.48 ' N ' ' CD2' ' A' ' 118' ' ' PHE . 0.4 OUTLIER -34.07 -59.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.446 ' O ' ' NE ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -156.68 22.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.15 -170.12 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . 62.58 58.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.8 m -93.68 134.87 35.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 108.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 6.2 p90 -145.87 178.0 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.8 t -60.87 136.18 58.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.625 ' HA ' HG23 ' A' ' 96' ' ' THR . 2.9 tpt180 -175.39 136.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 111' ' ' CYS . 8.3 p -111.2 -39.97 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 129' ' ' SER . 5.1 mt 65.66 133.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.634 HG23 ' HB2' ' A' ' 98' ' ' ASN . 1.7 p -105.28 153.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 96' ' ' THR . . . -118.21 67.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 96' ' ' THR . 2.7 m 36.17 38.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.14 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.634 ' HB2' HG23 ' A' ' 94' ' ' VAL . 1.8 t-20 -140.9 151.16 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 p -57.44 158.7 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 150.53 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.24 80.22 13.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.99 167.2 27.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 -41.3 1.02 Allowed 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.016 -0.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.751 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -147.28 163.27 29.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.751 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 130.43 21.26 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.988 0.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.413 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -84.34 86.28 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.691 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . 34.5 m 72.45 140.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.261 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -44.97 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -81.52 135.8 49.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.1 8.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.43 1.753 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 m -114.25 3.77 15.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.691 ' HB3' ' CB ' ' A' ' 107' ' ' CYS . . . -90.51 151.9 21.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -142.33 177.9 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.98 119.33 27.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -131.05 135.3 47.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -110.68 141.6 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -47.54 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -51.75 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.07 32.53 2.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.51 -68.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.72 -149.22 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.04 52.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -94.63 133.47 38.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.512 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 3.0 p90 -145.22 176.25 9.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.6 140.04 58.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 108.283 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.609 ' HA ' HG23 ' A' ' 96' ' ' THR . 2.0 ttt180 -168.16 144.41 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 p -136.96 93.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.1 -75.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.432 HG11 ' SG ' ' A' ' 125' ' ' CYS . 63.7 t -100.53 156.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.74 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 t -173.12 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -107.22 78.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -149.7 126.11 10.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -53.45 154.28 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.1 154.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 72.18 14.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.514 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.98 167.42 27.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.97 -28.25 7.67 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.024 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -144.88 163.08 35.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 -170.65 8.45 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.961 -0.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.65 -57.49 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 0.1 OUTLIER 174.48 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 4.7 t 84.72 -67.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.93 153.4 43.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.28 7.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.87 -0.42 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 107' ' ' CYS . . . -106.39 100.65 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 160.52 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 m -84.56 108.95 17.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -128.45 156.06 43.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 140.27 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.51 -22.85 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.544 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 30.8 t80 -44.11 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 157.97 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -134.82 -46.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.546 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 44.4 p -135.19 -156.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.979 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 73.97 56.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.3 m -94.2 126.2 39.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.09 -179.18 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.432 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -48.2 133.66 15.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 108.338 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 114.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 129' ' ' SER . 1.5 p -111.48 -35.7 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 64.4 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 127' ' ' VAL . 49.6 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.635 HG11 ' SG ' ' A' ' 125' ' ' CYS . 4.9 t -84.98 154.0 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.67 -90.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -176.51 37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -145.12 42.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -159.57 135.03 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 p -39.22 121.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 148.78 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -141.81 82.56 13.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.06 167.31 27.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -63.15 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.971 0.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -86.39 163.52 41.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.02 -1.86 18.27 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.98 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 81.51 169.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 4.8 m -93.34 47.3 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 0.1 OUTLIER 84.61 -52.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.95 138.69 19.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.02 8.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 127' ' ' VAL . 95.1 m -102.46 -4.65 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 108.262 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -79.52 144.12 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.8 m -144.1 -174.55 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.92 118.58 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.249 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.491 ' CE1' HD13 ' A' ' 128' ' ' LEU . 15.7 t80 -120.75 125.93 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 127.55 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.85 -27.72 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.562 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 31.3 t80 -43.64 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 0.9 OUTLIER 158.19 -23.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.67 -45.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -132.9 -158.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 73.47 54.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.2 m -94.71 136.91 34.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.19 177.76 8.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.635 ' SG ' HG11 ' A' ' 94' ' ' VAL . 13.3 m -50.48 129.51 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.84 123.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 111' ' ' CYS . 7.2 p -93.57 139.94 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.491 HD13 ' CE1' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -155.17 62.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.87 160.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 96' ' ' THR . . . -91.54 -2.79 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.894 HG22 ' HA ' ' A' ' 126' ' ' ARG . 3.9 m 84.39 55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 98' ' ' ASN . 1.1 ptm180 -145.71 -40.48 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 0.8 OUTLIER -74.42 167.29 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 p -55.32 160.46 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.1 122.77 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -93.08 152.93 41.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.516 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -75.07 -2.56 19.07 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.991 0.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 57.97 163.16 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.01 -39.14 1.52 Allowed 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.006 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.59 38.37 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.01 160.74 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.367 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.67 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 32.5 m-20 -86.75 124.6 68.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.88 8.38 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -110.12 -0.07 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 108.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -90.2 132.68 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.85 -179.03 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 91.2 m -85.7 101.31 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.579 ' CD2' HD23 ' A' ' 128' ' ' LEU . 6.4 t80 -115.23 133.91 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.05 144.0 40.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 108.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -61.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.87 164.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.76 36.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -155.64 -70.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.9 t -136.77 -149.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.4 57.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 28.0 m -94.79 135.9 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 108.265 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -145.53 179.04 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 131.08 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.894 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.7 OUTLIER -175.66 151.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.0 p -125.03 83.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 115' ' ' TYR . 4.1 mm? -84.92 54.34 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.52 HG11 ' SG ' ' A' ' 125' ' ' CYS . 11.9 t -101.18 145.82 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.72 -92.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.4 t -174.78 56.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -145.38 -44.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -74.24 146.82 42.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -58.35 165.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 t -44.83 143.27 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 108.239 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.05 147.93 36.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.65 26.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.618 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.04 -61.16 0.05 OUTLIER 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.984 0.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 78.91 163.16 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.736 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.96 129.6 19.05 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.068 -2.472 . . . . 0.0 111.013 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.447 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -157.19 -61.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 36.8 t 44.37 30.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 2.7 t 85.02 -70.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.339 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.87 145.56 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.482 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.5 OUTLIER -107.57 1.49 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.544 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -116.16 132.91 56.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 m -144.26 170.95 15.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 4.2 p -84.61 108.66 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 73.0 t80 -130.73 158.45 40.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.43 137.41 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.425 ' NE ' ' OH ' ' A' ' 124' ' ' TYR . 15.7 ptt180 -94.73 -33.16 13.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.72 176.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -102.53 29.79 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 -68.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.697 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.1 OUTLIER -137.09 -155.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 84.63 44.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.41 119.08 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 7.3 p90 -146.02 168.32 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.52 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -55.5 142.41 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 178.68 156.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 127' ' ' VAL . 1.3 p -131.67 7.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' VAL . 0.7 OUTLIER 39.11 40.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.638 HG22 ' H ' ' A' ' 95' ' ' ALA . 1.9 p -85.86 -178.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.638 ' H ' HG22 ' A' ' 94' ' ' VAL . . . -84.95 -100.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -170.21 31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -115.58 -27.05 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -74.82 152.93 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 52.2 p -51.46 168.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.401 ' N ' ' HA ' ' A' ' 124' ' ' TYR . 29.1 t -119.0 131.78 56.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.236 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 92.8 5.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.96 166.84 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.05 -60.06 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.998 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.15 163.13 22.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.99 166.32 83.59 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.24 28.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.54 164.97 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.9 m -54.93 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.709 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 9.8 m-20 -66.61 123.78 86.67 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.81 8.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.443 ' HB3' HG23 ' A' ' 127' ' ' VAL . 1.3 m -114.31 2.49 14.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.709 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -84.28 125.08 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.14 -174.82 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.76 84.65 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.339 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -104.11 138.73 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.5 144.28 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 -48.86 5.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -55.99 164.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.89 36.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -155.72 -71.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.6 m -136.94 -149.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.93 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.92 51.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.42 130.08 40.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.36 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.5 p90 -146.22 -174.89 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 121.9 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.32 128.16 5.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 111' ' ' CYS . 2.8 p -87.12 -38.02 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.4 OUTLIER 39.85 31.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 127' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 98' ' ' ASN . 94.1 t -100.74 162.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -124.17 67.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.814 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.7 m 35.72 53.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -145.56 -44.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.46 ' HB2' HG13 ' A' ' 94' ' ' VAL . 14.6 t30 -74.68 149.53 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.459 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 3.9 m -75.89 159.66 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.58 125.2 26.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.15 84.24 8.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 166.79 28.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.07 -64.42 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.98 0.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.72 162.19 25.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.733 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.94 157.76 99.4 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.001 -0.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.88 119.6 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.17 134.41 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -73.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.691 ' OD2' HG11 ' A' ' 127' ' ' VAL . 73.9 m-20 -40.26 108.8 0.55 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.4 Cg_endo -74.99 82.92 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.64 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -49.78 113.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 173.67 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 59.6 m -85.47 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.426 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 15.9 t80 -100.91 134.88 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -110.72 141.29 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -94.9 -43.86 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.05 170.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.93 32.06 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -155.67 -68.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.68 -149.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.32 53.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.31 134.7 36.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 11.3 p90 -145.7 178.77 7.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -61.76 134.04 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.814 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.29 122.74 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.691 HG11 ' OD2' ' A' ' 109' ' ' ASP . 10.3 p -134.29 38.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 128' ' ' LEU . 3.3 pp -74.42 58.86 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.939 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.0 t -93.94 154.85 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.14 -82.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.4 t -164.69 46.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.6 -40.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.53 141.45 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 94.0 p -49.62 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.19 136.66 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -123.32 146.52 49.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.554 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.03 160.49 40.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.627 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 0.96 16.11 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.008 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 79.3 162.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.731 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.02 -3.77 19.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.025 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 72.68 -71.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 112' ' ' ALA . 0.8 OUTLIER -41.82 133.52 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 28.2 p -55.18 -40.31 70.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.343 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -44.32 107.92 0.66 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.5 Cg_endo -74.96 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.8 p 157.48 -24.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 107' ' ' CYS . . . -64.14 122.73 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.5 p -116.07 177.68 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.59 87.38 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 108.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -103.0 137.72 40.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -112.16 143.09 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -94.81 -49.38 5.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.01 163.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.52 34.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.66 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -136.66 -149.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.16 52.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.8 m -94.24 132.9 38.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 108.31 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.0 p90 -145.82 177.73 8.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 96' ' ' THR . 0.9 OUTLIER -70.02 132.03 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.471 ' CG ' ' HG ' ' A' ' 128' ' ' LEU . 0.6 OUTLIER -173.97 136.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.579 ' O ' HD12 ' A' ' 128' ' ' LEU . 1.3 p -113.76 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 127' ' ' VAL . 0.6 OUTLIER 78.49 -76.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG2' ' SG ' ' A' ' 107' ' ' CYS . 17.2 m -92.92 -163.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.61 -70.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 t -171.89 47.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -44.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 160.71 30.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 77.2 p -68.79 162.78 25.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.94 142.47 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -124.33 75.46 61.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.97 167.19 27.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.04 -45.18 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.97 0.05 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.771 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -145.24 163.49 32.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.771 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 143.33 77.48 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.014 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.69 174.2 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 94' ' ' VAL . 15.0 m -58.14 178.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -50.16 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 113.35 12.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.06 8.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 95.6 m -111.02 -0.03 16.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -89.39 130.63 35.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.96 168.81 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 t -84.88 97.03 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 108.34 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -119.16 141.7 48.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -109.86 143.66 39.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -51.59 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -50.96 168.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.45 35.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -70.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.3 t -136.87 -149.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.81 55.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.9 m -94.43 130.51 40.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.343 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.45 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 8.7 p90 -146.06 -178.26 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 131.59 43.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -162.82 134.32 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.2 -34.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 66.45 100.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.577 HG11 ' SG ' ' A' ' 125' ' ' CYS . 2.7 t -145.05 149.58 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.34 -100.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 t -164.6 40.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.07 41.64 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.594 1.184 . . . . 0.0 110.25 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -134.85 132.13 38.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 p -78.87 136.86 37.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.607 1.192 . . . . 0.0 110.134 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.7 p -165.39 -177.18 4.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 108.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 6.1 mtpt -143.58 143.17 22.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.05 167.37 27.15 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.488 1.783 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.82 -62.82 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.028 -0.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.67 164.27 61.74 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.562 1.164 . . . . 0.0 109.363 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.812 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.1 Cg_endo -75.07 -0.27 17.28 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.025 -0.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 83.28 -161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 84.7 m -141.02 61.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.097 . . . . 0.0 108.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.2 m 67.99 -72.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 108.377 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' CYS . 2.3 m-20 -85.11 147.52 47.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.83 8.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 127' ' ' VAL . 17.6 t -105.61 -8.58 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 108.232 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -95.19 111.0 22.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.62 162.2 18.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.6 95.61 8.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 108.264 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.568 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 40.1 t80 -125.49 165.41 18.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.568 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.13 137.62 45.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 117' ' ' ARG . 0.2 OUTLIER -125.39 1.26 7.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -114.5 170.9 7.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.046 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -85.11 12.67 7.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.84 9.31 36.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.202 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.62 17.51 4.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.501 ' O ' ' CE2' ' A' ' 124' ' ' TYR . . . -74.25 94.34 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.215 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 2.8 m -94.77 120.09 34.43 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.346 1.029 . . . . 0.0 108.35 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 6.0 p90 -145.14 -179.84 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.577 ' SG ' HG11 ' A' ' 94' ' ' VAL . 6.9 m -46.16 131.61 10.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.539 1.149 . . . . 0.0 108.336 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.762 ' CD ' HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -177.14 126.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.389 1.056 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.592 HG22 ' OG ' ' A' ' 129' ' ' SER . 3.1 p -98.85 -38.06 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.413 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.762 HD12 ' CD ' ' A' ' 126' ' ' ARG . 0.2 OUTLIER 56.13 57.07 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.592 ' OG ' HG22 ' A' ' 127' ' ' VAL . 93.4 p -179.63 132.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.63 -52.06 6.38 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.469 1.105 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -79.98 63.83 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.314 1.009 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 108.403 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.0 t -88.78 131.99 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.48 170.33 12.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.736 ' O ' HG22 ' A' ' 96' ' ' THR . 1.5 m -73.34 57.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.23 -45.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 152.3 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.475 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 89.0 p -81.82 164.46 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.9 p -161.91 173.9 13.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 0.1 OUTLIER -143.29 131.82 11.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 -62.8 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.943 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.03 163.91 20.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.773 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 -171.65 9.68 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.978 -0.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -94.95 -161.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 179.18 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 108.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.1 t -55.05 -68.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -72.21 140.7 82.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.35 2.68 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -91.95 126.67 37.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 t -134.51 176.89 8.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.7 m -84.77 88.85 7.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.267 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -105.26 145.37 30.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.01 142.32 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -53.41 175.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.85 32.92 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.67 -69.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.75 -149.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.4 51.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.2 m -94.67 128.9 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.6 p90 -145.94 172.38 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.61 132.22 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.266 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.582 ' HA ' HG23 ' A' ' 96' ' ' THR . 9.0 ttt180 170.38 156.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.453 ' N ' ' CG ' ' A' ' 126' ' ' ARG . 1.7 p -124.0 134.83 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' SER . 77.2 mt -154.24 107.89 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER 38.97 90.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.444 ' O ' ' CB ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER 71.47 -159.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 0.5 OUTLIER 77.75 21.99 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.77 159.08 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.17 167.27 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.5 m -74.34 -2.29 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -137.66 55.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -149.72 144.62 26.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -57.8 129.86 43.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.2 m -65.49 127.82 33.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.83 152.34 58.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.503 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.5 Cg_endo -75.0 166.98 28.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 106' ' ' ALA . 18.1 Cg_endo -75.01 131.25 23.59 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.007 -0.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.762 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.23 163.26 69.01 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.762 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 -33.08 4.27 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.982 0.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 103' ' ' PRO . . . 48.62 93.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 1.4 t 179.78 125.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.259 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 57.5 m -70.68 66.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.81 ' OD1' HG21 ' A' ' 127' ' ' VAL . 0.2 OUTLIER 168.39 112.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.1 Cg_endo -75.05 79.9 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.55 -24.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.322 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -45.07 108.3 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 m -94.91 -176.75 3.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.21 89.77 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.427 ' CG ' ' NH1' ' A' ' 126' ' ' ARG . 32.0 t80 -97.46 136.1 38.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.55 141.18 45.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.287 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.86 -43.99 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -54.1 166.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.55 30.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.7 mtt-85 -155.61 -67.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 7.1 t -136.69 -149.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.44 56.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 15.9 m -94.36 138.29 32.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.3 p90 -145.49 173.46 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 140.24 54.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.456 ' HG2' HD23 ' A' ' 128' ' ' LEU . 5.8 tmm_? -153.7 118.73 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.81 HG21 ' OD1' ' A' ' 109' ' ' ASP . 7.2 p -134.89 12.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 128' ' ' LEU . 1.4 pp -69.98 83.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.9 p -163.53 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 74.59 -173.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.0 t30 42.69 46.64 4.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 t -101.59 153.29 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.05 173.2 6.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.5 m -74.84 57.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -145.36 -45.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.65 163.3 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.465 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 69.2 p -68.47 165.31 19.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 3.8 p -61.16 144.92 52.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 108.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.33 151.96 79.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -62.1 0.04 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.992 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -164.41 163.44 14.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.756 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 -43.82 0.64 Allowed 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.973 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -162.35 -60.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.27 177.54 7.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 108.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 p -56.19 -53.74 53.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.17 . . . . 0.0 108.287 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 4.7 m-20 -52.33 108.01 0.98 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.04 8.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.803 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 -4.38 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 109' ' ' ASP . . . -108.36 139.5 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -173.9 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.62 88.51 7.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.682 ' CE1' HD21 ' A' ' 128' ' ' LEU . 13.6 t80 -100.67 136.83 39.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 10.8 m -90.65 131.16 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -94.89 -39.53 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -65.4 176.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -93.98 32.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.15 -72.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.647 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.1 m -137.92 -146.55 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 80.52 59.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 115' ' ' TYR . 65.3 m -92.74 130.9 38.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.465 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 23.7 p90 -146.08 172.91 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.61 113.1 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.939 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -152.28 151.58 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 127' ' ' VAL . 2.7 p -136.8 68.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.682 HD21 ' CE1' ' A' ' 115' ' ' TYR . 3.0 pp -85.07 -40.97 16.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.499 ' N ' HD12 ' A' ' 128' ' ' LEU . 0.1 OUTLIER -58.99 -54.71 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 131' ' ' ASN . 0.1 OUTLIER 78.3 158.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 130' ' ' LEU . 1.5 m-20 160.63 -59.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -92.82 147.23 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.11 -87.94 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.874 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.8 m -165.58 55.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 -45.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.43 163.67 27.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.443 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 83.2 p -86.65 160.81 18.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 6.0 p -135.1 178.71 6.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -136.93 154.56 76.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.98 167.28 27.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 143.57 78.22 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.997 0.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.757 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -93.72 163.41 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.757 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.03 174.4 52.9 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -154.54 46.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.08 174.49 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -73.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.32 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.08 130.11 5.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 0.93 8.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.7 2.79 15.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -96.78 137.23 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.4 179.55 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 79.6 m -86.93 106.79 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.279 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -127.57 144.35 51.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -108.24 143.13 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.294 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -94.76 -59.98 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.84 164.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.02 35.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.7 -71.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 6.1 t -136.94 -148.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.35 60.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 39.8 m -95.16 128.44 41.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.4 p90 -146.11 -177.13 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.94 129.28 37.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.874 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -157.71 147.57 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 128' ' ' LEU . 2.8 p -126.57 165.06 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.497 ' N ' HG22 ' A' ' 127' ' ' VAL . 2.3 mp -155.35 142.43 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.83 -160.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -161.6 -159.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.4 t30 72.26 -60.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.269 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 95' ' ' ALA . 69.4 t -95.11 160.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.405 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -119.06 177.9 4.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.722 ' O ' HG22 ' A' ' 96' ' ' THR . 1.7 m -75.14 55.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -145.25 17.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -143.21 145.08 32.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 78.9 p -87.79 169.89 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.1 m -47.02 117.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.09 153.08 52.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.95 167.43 27.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.618 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.0 -37.27 2.29 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.985 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 78.89 163.17 0.13 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.752 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.5 Cg_endo -74.99 129.67 19.26 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -81.37 -166.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 1.3 m 67.06 140.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.322 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -74.11 -65.1 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 0.6 OUTLIER -40.21 127.37 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.91 8.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.5 0.68 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.242 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -76.1 130.1 37.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.43 -173.05 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 57.4 m -85.6 114.74 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.444 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 37.2 t80 -118.82 135.88 54.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -112.95 132.56 55.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -94.81 -43.61 8.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -48.85 177.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.71 28.71 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.74 -67.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.9 m -136.88 -145.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.15 53.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.6 129.46 41.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 108.355 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.3 p90 -145.85 174.26 11.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.77 138.09 30.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -177.07 137.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.603 HG22 ' H ' ' A' ' 130' ' ' LEU . 14.6 p -120.38 106.05 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 65.8 mt -70.34 -63.37 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.1 m -39.78 -47.5 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.014 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.603 ' H ' HG22 ' A' ' 127' ' ' VAL . 0.2 OUTLIER 76.54 -70.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -73.76 63.18 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.284 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.8 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.8 t -86.7 141.24 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 96' ' ' THR . . . -90.07 -94.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.729 ' O ' HG22 ' A' ' 96' ' ' THR . 2.6 m -164.57 43.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.14 28.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -135.39 143.46 46.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 76.2 p -55.04 160.88 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 123' ' ' CYS . 5.2 m -54.1 154.26 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -144.5 89.01 6.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.02 167.31 27.31 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.781 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.02 128.06 15.66 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -75.08 163.42 68.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.759 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.01 150.9 96.19 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.032 -2.486 . . . . 0.0 110.972 0.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 101' ' ' LYS . . . -145.33 66.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -142.27 157.14 45.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 108.337 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -63.58 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.42 133.81 95.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.92 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.543 1.812 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.46 1.54 15.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 108.32 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 107' ' ' CYS . . . -85.38 132.36 34.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.85 159.76 39.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 112.7 20.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.522 ' CZ ' ' O ' ' A' ' 116' ' ' CYS . 41.7 t80 -144.65 162.23 37.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.522 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.17 139.88 42.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -16.78 12.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.559 ' O ' ' CG ' ' A' ' 119' ' ' PHE . 23.9 t80 -50.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 159.03 -23.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.56 -45.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.2 OUTLIER -133.45 -154.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 69.21 59.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 100' ' ' CYS . 5.4 m -95.45 124.16 39.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 126' ' ' ARG . 11.3 p90 -146.26 -176.18 5.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.65 125.04 24.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.657 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -156.61 131.81 9.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.03 -32.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' A' ' 126' ' ' ARG . 1.5 tp 45.74 91.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.88 132.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 132' ' ' CYS . 0.6 OUTLIER -77.87 -74.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.2 t30 70.2 -61.35 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 130' ' ' LEU . 32.1 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 108.303 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.1 t -145.12 158.36 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.78 -78.76 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 t -170.15 32.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.459 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -125.88 -42.35 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.89 152.71 38.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.456 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 60.1 p -97.94 168.63 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.85 156.35 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.281 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.54 94.42 32.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.17 27.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 125.33 11.16 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.034 -0.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.748 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 57.69 163.19 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.748 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.97 -171.43 9.37 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.963 0.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -91.14 -78.92 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.93 179.76 1.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 108.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -76.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.1 137.64 84.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 0.67 8.57 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.08 0.17 18.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.545 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -105.79 119.71 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.37 171.4 8.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.2 m -84.78 93.22 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 108.312 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -110.0 147.94 32.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 128.46 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 108.278 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.38 8.19 19.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.662 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 29.2 t80 -71.94 -67.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 0.2 OUTLIER 159.28 -24.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -138.77 -45.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.4 OUTLIER -135.3 -149.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 66.82 61.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 33.9 m -94.62 126.46 39.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.456 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 22.5 p90 -145.73 178.87 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.66 137.99 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.464 ' CG ' HD23 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -155.73 123.38 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 127' ' ' VAL . 2.5 p -141.06 48.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.464 HD23 ' CG ' ' A' ' 126' ' ' ARG . 2.5 pp -70.91 121.23 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.2 t 71.41 133.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.99 -160.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 44.95 60.19 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 6.2 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 108.288 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 98' ' ' ASN . 3.2 t -118.55 143.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.82 -172.93 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 96' ' ' THR . 8.1 t -75.31 56.27 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 ttt-85 -145.2 -47.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.598 ' HB3' HG13 ' A' ' 94' ' ' VAL . 18.4 t-20 -80.0 153.11 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.464 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 27.7 p -91.2 157.13 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -131.52 160.38 35.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 108.282 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.436 ' N ' ' SG ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER -131.87 99.52 16.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -75.04 167.33 27.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.773 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -74.98 128.13 15.78 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.988 -0.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 63.89 162.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.745 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 165.87 84.79 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.963 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.6 -173.52 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -100.83 166.65 10.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -59.59 138.33 89.58 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.81 8.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.547 ' O ' HG23 ' A' ' 127' ' ' VAL . 42.2 m -107.64 -1.9 20.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.333 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 107' ' ' CYS . . . -102.64 129.53 49.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.74 168.94 18.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 99.52 12.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.768 ' CD2' HD21 ' A' ' 128' ' ' LEU . 34.7 t80 -128.49 156.81 42.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.523 ' O ' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -108.89 135.86 49.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.363 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -94.9 -35.95 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.422 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 2.3 t80 -55.93 175.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -101.85 27.73 6.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -66.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 8.5 t -136.76 -147.8 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 75.81 56.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 9.3 m -95.14 119.41 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 108.298 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.464 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 4.1 p90 -146.12 -179.55 6.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.92 146.09 53.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -179.68 150.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 111' ' ' CYS . 3.1 p -123.12 65.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' ' 115' ' ' TYR . 1.8 pp -84.57 80.82 9.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -149.82 -49.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 76.87 -79.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 36.4 p30 -73.02 61.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 108.317 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 98' ' ' ASN . 75.1 t -115.46 134.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.56 -174.13 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 96' ' ' THR . 6.8 t -75.54 55.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.51 19.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 28.9 t-20 -149.46 136.54 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 91.7 p -65.41 155.88 34.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 5.0 p -64.23 115.71 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 150.0 43.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.53 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.93 164.34 33.63 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.786 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.73 ' O ' ' HB2' ' A' ' 106' ' ' ALA . 18.2 Cg_endo -75.03 133.05 29.69 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.981 0.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.752 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -74.7 163.2 69.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.752 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.94 -15.52 22.06 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.96 -2.517 . . . . 0.0 111.012 -0.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 103' ' ' PRO . . . 50.73 57.74 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -164.3 129.13 2.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -70.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.95 121.61 15.68 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.73 8.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.1 m -112.96 3.05 16.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 108.352 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.12 140.39 30.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 65.3 m -144.95 -174.94 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 12.8 t -85.37 116.33 23.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -138.93 142.63 38.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -106.81 138.41 43.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -117.65 -8.76 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 119' ' ' PHE . 23.6 t80 -56.7 -68.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 118' ' ' PHE . 0.3 OUTLIER 160.61 -24.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.02 -45.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 25.3 p -135.24 -151.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.558 ' HB3' ' HB2' ' A' ' 118' ' ' PHE . . . 69.28 57.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 4.0 m -95.46 129.61 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.441 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 7.3 p90 -145.33 -178.45 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 136.43 57.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.443 HH11 HG21 ' A' ' 96' ' ' THR . 17.0 tpt180 -170.97 148.35 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 126' ' ' ARG . 13.9 p -128.49 137.57 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.18 63.71 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.6 p -167.68 171.88 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 130' ' ' LEU . 14.1 mt -154.05 117.73 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.7 t30 177.84 -44.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 24.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 108.305 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 108' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 95' ' ' ALA . 94.5 t -109.32 -107.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.648 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -155.3 -94.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.0 t -164.86 29.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -145.19 45.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.557 ' HB3' HG11 ' A' ' 94' ' ' VAL . 1.1 p30 -135.61 132.16 36.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.5 p -46.5 158.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 123' ' ' CYS . 4.4 m -58.49 117.87 4.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.342 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.69 86.52 29.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.05 167.17 27.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -74.98 136.74 46.63 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.037 -2.484 . . . . 0.0 110.998 0.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -74.84 163.46 68.02 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.04 -173.39 12.26 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.953 0.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.95 -73.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -43.82 146.17 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.423 ' N ' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.14 -43.04 79.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 108.348 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.79 113.04 1.24 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.531 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.2 Cg_endo -75.03 78.73 2.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.31 -24.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.31 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.533 ' HB3' ' SG ' ' A' ' 107' ' ' CYS . . . -67.64 115.33 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.3 t -84.64 99.07 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 108.314 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CE1' ' O ' ' A' ' 116' ' ' CYS . 16.4 t80 -125.23 146.45 49.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.448 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -111.81 145.48 39.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 108.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.76 -48.33 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 7.7 t80 -57.12 168.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.41 ' N ' ' CD1' ' A' ' 118' ' ' PHE . 9.7 m-85 -94.92 37.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.75 -71.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.87 -149.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.49 51.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 100' ' ' CYS . 4.7 m -94.72 129.46 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.4 p90 -146.38 -179.26 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.82 124.95 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.345 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -158.74 140.55 13.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 111' ' ' CYS . 1.9 p -99.91 -31.9 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.448 HD22 ' HD2' ' A' ' 126' ' ' ARG . 0.2 OUTLIER 59.8 101.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.1 137.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.021 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -77.6 173.41 12.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.488 ' H ' HD23 ' A' ' 130' ' ' LEU . 5.2 t-20 81.53 -58.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.42 134.23 27.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.57 168.77 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.738 ' O ' HG22 ' A' ' 96' ' ' THR . 1.4 m -74.43 59.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -145.48 -44.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -78.11 152.3 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 41.1 p -61.09 163.27 6.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.9 p -94.43 137.5 33.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.13 152.58 47.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.97 166.83 28.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.593 1.839 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.4 Cg_endo -75.01 0.4 16.58 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.006 -0.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 62.56 162.94 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.95 -34.95 3.1 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.017 -0.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' PRO . . . 40.4 38.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.88 166.37 11.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 108.274 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.89 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.95 137.58 57.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 1.07 8.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.456 ' O ' HG23 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -117.87 6.23 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -88.79 123.66 33.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.03 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.3 t -88.05 110.62 20.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 126' ' ' ARG . 45.7 t80 -112.48 136.0 52.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -114.88 135.28 54.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 108.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -94.7 -45.24 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.48 ' CD2' ' N ' ' A' ' 119' ' ' PHE . 39.9 t80 -49.0 172.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.48 ' N ' ' CD2' ' A' ' 118' ' ' PHE . 0.4 OUTLIER -34.07 -59.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.446 ' O ' ' NE ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -156.68 22.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.15 -170.12 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 116' ' ' CYS . . . 62.58 58.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.8 m -93.68 134.87 35.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 108.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 6.2 p90 -145.87 178.0 8.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.8 t -60.87 136.18 58.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.625 ' HA ' HG23 ' A' ' 96' ' ' THR . 2.9 tpt180 -175.39 136.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 111' ' ' CYS . 8.3 p -111.2 -39.97 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 129' ' ' SER . 5.1 mt 65.66 133.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 128' ' ' LEU . 0.1 OUTLIER 79.27 -54.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 77.35 -173.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.9 m120 48.47 58.05 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 108.256 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.634 HG23 ' HB2' ' A' ' 98' ' ' ASN . 1.7 p -105.28 153.54 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 96' ' ' THR . . . -118.21 67.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 96' ' ' THR . 2.7 m 36.17 38.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.14 14.07 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.634 ' HB2' HG23 ' A' ' 94' ' ' VAL . 1.8 t-20 -140.9 151.16 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 p -57.44 158.7 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.95 150.53 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.24 80.22 13.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.51 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.99 167.2 27.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.51 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.01 -41.3 1.02 Allowed 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.016 -0.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.751 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -147.28 163.27 29.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.751 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -75.03 130.43 21.26 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.988 0.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.413 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -84.34 86.28 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.691 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . 34.5 m 72.45 140.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.261 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -44.97 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -81.52 135.8 49.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.1 8.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.43 1.753 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.759 ' O ' HD13 ' A' ' 130' ' ' LEU . 4.0 m -114.25 3.77 15.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.691 ' HB3' ' CB ' ' A' ' 107' ' ' CYS . . . -90.51 151.9 21.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.5 p -142.33 177.9 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 m -86.98 119.33 27.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -131.05 135.3 47.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -110.68 141.6 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.78 -47.54 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -51.75 173.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -100.07 32.53 2.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.51 -68.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.7 OUTLIER -136.72 -149.22 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.04 52.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 116' ' ' CYS . 0.0 OUTLIER -94.63 133.47 38.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 108.281 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 3.0 p90 -145.22 176.25 9.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.7 m -65.6 140.04 58.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 108.283 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.609 ' HA ' HG23 ' A' ' 96' ' ' THR . 2.0 ttt180 -168.16 144.41 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.1 p -136.96 93.53 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.1 -75.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.88 -56.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.759 HD13 ' O ' ' A' ' 111' ' ' CYS . 0.0 OUTLIER 73.7 175.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -121.3 7.98 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 108.28 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 94' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.432 HG11 ' SG ' ' A' ' 125' ' ' CYS . 63.7 t -100.53 156.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.74 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 t -173.12 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.388 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -107.22 78.51 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -149.7 126.11 10.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -53.45 154.28 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.1 154.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 72.18 14.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -74.98 167.42 27.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -74.97 -28.25 7.67 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.024 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -144.88 163.08 35.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.754 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.98 -170.65 8.45 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.961 -0.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.65 -57.49 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 0.1 OUTLIER 174.48 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 4.7 t 84.72 -67.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -109.93 153.4 43.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 1.28 7.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.87 -0.42 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 107' ' ' CYS . . . -106.39 100.65 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 160.52 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 m -84.56 108.95 17.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -128.45 156.06 43.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 140.27 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.51 -22.85 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.544 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 30.8 t80 -44.11 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 2.3 t80 157.97 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -134.82 -46.67 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.546 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 44.4 p -135.19 -156.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.979 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 73.97 56.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.3 m -94.2 126.2 39.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 108.314 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -146.09 -179.18 6.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.432 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -48.2 133.66 15.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 108.338 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 114.97 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 129' ' ' SER . 1.5 p -111.48 -35.7 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 64.4 -86.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 127' ' ' VAL . 49.6 m -60.83 174.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.0 mt -154.1 127.0 8.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 167.96 -52.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.331 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.635 HG11 ' SG ' ' A' ' 125' ' ' CYS . 4.9 t -84.98 154.0 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.67 -90.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -176.51 37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -145.12 42.01 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -159.57 135.03 8.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 p -39.22 121.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 148.78 38.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -141.81 82.56 13.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.06 167.31 27.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.0 -63.15 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.971 0.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -86.39 163.52 41.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.02 -1.86 18.27 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.98 0.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 81.51 169.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 4.8 m -93.34 47.3 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.349 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 0.1 OUTLIER 84.61 -52.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.95 138.69 19.6 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.02 8.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 127' ' ' VAL . 95.1 m -102.46 -4.65 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 108.262 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 107' ' ' CYS . . . -79.52 144.12 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 69.8 m -144.1 -174.55 4.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.92 118.58 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.249 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.491 ' CE1' HD13 ' A' ' 128' ' ' LEU . 15.7 t80 -120.75 125.93 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 127.55 49.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.85 -27.72 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.562 ' O ' ' CB ' ' A' ' 119' ' ' PHE . 31.3 t80 -43.64 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 118' ' ' PHE . 0.9 OUTLIER 158.19 -23.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.67 -45.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -132.9 -158.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 73.47 54.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.2 m -94.71 136.91 34.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -145.19 177.76 8.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.635 ' SG ' HG11 ' A' ' 94' ' ' VAL . 13.3 m -50.48 129.51 22.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.84 123.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 111' ' ' CYS . 7.2 p -93.57 139.94 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.491 HD13 ' CE1' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -155.17 62.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.79 -166.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 131' ' ' ASN . 0.8 OUTLIER -158.36 -165.8 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.42 ' N ' HD12 ' A' ' 130' ' ' LEU . 1.0 OUTLIER 73.69 -62.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 108.259 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -94.87 160.45 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 96' ' ' THR . . . -91.54 -2.79 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.894 HG22 ' HA ' ' A' ' 126' ' ' ARG . 3.9 m 84.39 55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.435 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 98' ' ' ASN . 1.1 ptm180 -145.71 -40.48 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 97' ' ' ARG . 0.8 OUTLIER -74.42 167.29 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 p -55.32 160.46 2.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 8.3 p -105.1 122.77 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -93.08 152.93 41.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.516 ' CB ' ' HA ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -74.99 167.43 27.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 102' ' ' PRO . 18.1 Cg_endo -75.07 -2.56 19.07 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.991 0.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 57.97 163.16 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.01 -39.14 1.52 Allowed 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.032 -2.487 . . . . 0.0 111.006 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 40.59 38.37 0.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.01 160.74 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 108.367 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -52.67 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 32.5 m-20 -86.75 124.6 68.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.88 8.38 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -110.12 -0.07 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 108.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -90.2 132.68 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.85 -179.03 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 91.2 m -85.7 101.31 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.579 ' CD2' HD23 ' A' ' 128' ' ' LEU . 6.4 t80 -115.23 133.91 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.05 144.0 40.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 108.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -61.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.87 164.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -92.76 36.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -155.64 -70.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.9 t -136.77 -149.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.4 57.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 28.0 m -94.79 135.9 35.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 108.265 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 0.9 OUTLIER -145.53 179.04 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 131.08 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 108.284 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.894 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.7 OUTLIER -175.66 151.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.0 p -125.03 83.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 115' ' ' TYR . 4.1 mm? -84.92 54.34 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.03 123.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.97 131.83 34.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -170.45 41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.52 HG11 ' SG ' ' A' ' 125' ' ' CYS . 11.9 t -101.18 145.82 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.72 -92.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.4 t -174.78 56.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -145.38 -44.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -74.24 146.82 42.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.5 p -58.35 165.91 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 t -44.83 143.27 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.168 . . . . 0.0 108.239 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.05 147.93 36.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.511 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.3 Cg_endo -75.03 167.65 26.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.618 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.04 -61.16 0.05 OUTLIER 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.984 0.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 78.91 163.16 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.736 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -74.96 129.6 19.05 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.068 -2.472 . . . . 0.0 111.013 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.447 ' N ' ' HA ' ' A' ' 104' ' ' ALA . . . -157.19 -61.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 36.8 t 44.37 30.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 107' ' ' CYS . 2.7 t 85.02 -70.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.339 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.87 145.56 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.41 7.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.609 ' SG ' HD13 ' A' ' 130' ' ' LEU . 0.5 OUTLIER -107.57 1.49 23.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 108.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.544 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -116.16 132.91 56.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.1 m -144.26 170.95 15.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 4.2 p -84.61 108.66 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 116' ' ' CYS . 73.0 t80 -130.73 158.45 40.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -114.43 137.41 51.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.425 ' NE ' ' OH ' ' A' ' 124' ' ' TYR . 15.7 ptt180 -94.73 -33.16 13.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -62.72 176.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -102.53 29.79 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 -68.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.697 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.1 OUTLIER -137.09 -155.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.956 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 84.63 44.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.41 119.08 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.298 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.433 ' CE2' ' O ' ' A' ' 122' ' ' ALA . 7.3 p90 -146.02 168.32 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.52 ' SG ' HG11 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -55.5 142.41 33.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.315 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 178.68 156.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.608 HG23 HD12 ' A' ' 130' ' ' LEU . 1.3 p -131.67 7.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' VAL . 0.7 OUTLIER 39.11 40.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.88 -72.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.807 HD13 ' SG ' ' A' ' 132' ' ' CYS . 2.3 mt 73.86 177.8 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.83 12.0 18.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.807 ' SG ' HD13 ' A' ' 130' ' ' LEU . 3.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 108.28 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.638 HG22 ' H ' ' A' ' 95' ' ' ALA . 1.9 p -85.86 -178.3 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.638 ' H ' HG22 ' A' ' 94' ' ' VAL . . . -84.95 -100.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.2 t -170.21 31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -115.58 -27.05 7.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -74.82 152.93 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 52.2 p -51.46 168.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.401 ' N ' ' HA ' ' A' ' 124' ' ' TYR . 29.1 t -119.0 131.78 56.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.236 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 92.8 5.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -74.96 166.84 28.37 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.05 -60.06 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.998 0.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.753 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.15 163.13 22.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.753 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.99 166.32 83.59 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.23 142.24 28.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.54 164.97 21.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.9 m -54.93 -66.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.709 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 9.8 m-20 -66.61 123.78 86.67 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.81 8.42 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.786 ' O ' HD12 ' A' ' 130' ' ' LEU . 1.3 m -114.31 2.49 14.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 108.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.709 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . . . -84.28 125.08 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.14 -174.82 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.76 84.65 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 108.339 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -104.11 138.73 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -111.5 144.28 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.86 -48.86 5.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -55.99 164.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.89 36.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -155.72 -71.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.615 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.6 m -136.94 -149.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.93 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.92 51.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 3.9 m -94.42 130.08 40.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.36 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 124' ' ' TYR . 2.5 p90 -146.22 -174.89 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.24 121.9 17.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.32 128.16 5.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 111' ' ' CYS . 2.8 p -87.12 -38.02 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 128' ' ' LEU . 0.4 OUTLIER 39.85 31.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 127' ' ' VAL . 0.3 OUTLIER 74.59 -57.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.048 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 111' ' ' CYS . 3.3 mt 71.98 -165.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -89.51 11.75 18.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.279 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 98' ' ' ASN . 94.1 t -100.74 162.42 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' N ' HG12 ' A' ' 94' ' ' VAL . . . -124.17 67.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.814 HG23 ' HA ' ' A' ' 126' ' ' ARG . 1.7 m 35.72 53.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -145.56 -44.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.46 ' HB2' HG13 ' A' ' 94' ' ' VAL . 14.6 t30 -74.68 149.53 39.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.459 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 3.9 m -75.89 159.66 30.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.58 125.2 26.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 108.275 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.15 84.24 8.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.2 Cg_endo -75.02 166.79 28.45 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.2 Cg_endo -75.07 -64.42 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.98 0.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -95.72 162.19 25.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.733 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -74.94 157.76 99.4 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.001 -0.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.88 119.6 29.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.17 134.41 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -73.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.691 ' OD2' HG11 ' A' ' 127' ' ' VAL . 73.9 m-20 -40.26 108.8 0.55 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.4 Cg_endo -74.99 82.92 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER 157.64 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -49.78 113.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.5 173.67 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 59.6 m -85.47 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.426 ' HB3' ' CB ' ' A' ' 126' ' ' ARG . 15.9 t80 -100.91 134.88 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -110.72 141.29 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -94.9 -43.86 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.05 170.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.93 32.06 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -155.67 -68.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.8 OUTLIER -136.68 -149.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.32 53.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.31 134.7 36.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 11.3 p90 -145.7 178.77 7.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -61.76 134.04 56.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.814 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.29 122.74 7.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.691 HG11 ' OD2' ' A' ' 109' ' ' ASP . 10.3 p -134.29 38.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.834 ' O ' HD12 ' A' ' 128' ' ' LEU . 3.3 pp -74.42 58.86 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.37 129.68 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.939 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 130' ' ' LEU . 1.0 OUTLIER -81.5 -159.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 40.88 62.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 108.297 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.0 t -93.94 154.85 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.14 -82.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 125' ' ' CYS . 1.4 t -164.69 46.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.6 -40.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -73.53 141.45 46.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 94.0 p -49.62 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.19 136.66 39.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.35 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -123.32 146.52 49.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.554 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.4 Cg_endo -75.03 160.49 40.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.627 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 18.3 Cg_endo -74.98 0.96 16.11 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.008 -0.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . 79.3 162.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.731 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.02 -3.77 19.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.025 0.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 105' ' ' PRO . . . 72.68 -71.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 112' ' ' ALA . 0.8 OUTLIER -41.82 133.52 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 28.2 p -55.18 -40.31 70.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.343 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -44.32 107.92 0.66 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 111' ' ' CYS . 18.5 Cg_endo -74.96 78.98 2.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 1.8 p 157.48 -24.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 108.301 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 107' ' ' CYS . . . -64.14 122.73 17.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.5 p -116.07 177.68 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.59 87.38 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 108.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -103.0 137.72 40.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -112.16 143.09 43.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -94.81 -49.38 5.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.01 163.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.52 34.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.66 -69.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 0.3 OUTLIER -136.66 -149.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 78.16 52.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 5.8 m -94.24 132.9 38.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 108.31 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 124' ' ' TYR . 2.0 p90 -145.82 177.73 8.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 96' ' ' THR . 0.9 OUTLIER -70.02 132.03 45.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.471 ' CG ' ' HG ' ' A' ' 128' ' ' LEU . 0.6 OUTLIER -173.97 136.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.579 ' O ' HD12 ' A' ' 128' ' ' LEU . 1.3 p -113.76 -38.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 127' ' ' VAL . 0.6 OUTLIER 78.49 -76.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.49 124.14 14.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.23 135.55 33.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 170.88 -41.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 110' ' ' PRO . 86.9 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 108.3 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.502 ' CG2' ' SG ' ' A' ' 107' ' ' CYS . 17.2 m -92.92 -163.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.61 -70.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 t -171.89 47.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -44.77 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.38 160.71 30.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.45 ' HA ' ' CB ' ' A' ' 124' ' ' TYR . 77.2 p -68.79 162.78 25.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 7.3 p -90.94 142.47 27.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -124.33 75.46 61.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 18.1 Cg_endo -74.97 167.19 27.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 Cg_endo -75.04 -45.18 0.48 Allowed 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.97 0.05 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.771 ' HB1' ' HA ' ' A' ' 105' ' ' PRO . . . -145.24 163.49 32.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.771 ' HA ' ' HB1' ' A' ' 104' ' ' ALA . 18.2 Cg_endo -75.0 143.33 77.48 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.014 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.69 174.2 11.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 94' ' ' VAL . 15.0 m -58.14 178.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -50.16 17.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 113.35 12.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.06 8.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 95.6 m -111.02 -0.03 16.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -89.39 130.63 35.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.96 168.81 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.5 t -84.88 97.03 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 108.34 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -119.16 141.7 48.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -109.86 143.66 39.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -51.59 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -50.96 168.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.45 35.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 -70.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.6 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 3.3 t -136.87 -149.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . 77.81 55.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 17.9 m -94.43 130.51 40.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 108.343 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.45 ' CB ' ' HA ' ' A' ' 99' ' ' SER . 8.7 p90 -146.06 -178.26 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 131.59 43.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -162.82 134.32 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.2 -34.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt 66.45 100.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.35 132.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.98 167.89 15.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.3 p30 177.85 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.978 . . . . . . . . 0 0 . 1 stop_ save_